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Isoamylamine

PubChem CID: 7894

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Compound Synonyms ISOAMYLAMINE, Isopentylamine, 107-85-7, 3-METHYLBUTAN-1-AMINE, 3-Methylbutylamine, 1-Amino-3-methylbutane, Monoisoamylamine, Leucamine, Isovalerylamine, 3-Methylbutanamine, 1-Butanamine, 3-methyl-, Monoisopentylamine, 3-Methyl-1-butanamine, gamma-Isoamylamine, Isobutylcarbylamine, 3-Methyl-1-butylamine, 3-Methyl-Butylamine, 1-Aminoisopentane, Butylamine, 3-methyl-, 3,3-Dimethylpropylamine, .gamma.-Isoamylamine, 2-(2-isopropyl)ethylamine, Propylamine, 3,3-dimethyl-, 3-methyl-n-butylamine, FEMA No. 3219, LPO0L33SHY, NSC 7907, CHEBI:43689, NSC-7907, 3,3-dimethyl-propylamine, EINECS 203-526-0, ISOAMYLAMINE [MI], ISOPENTYLAMINE [FHFI], CHEMBL42003, AI3-24040, DTXSID7059355, NSC7907, EC 203-526-0, LEN, isoamyl amine, ISOAMYLAMINE, REAG, UNII-LPO0L33SHY, isoamylamin, Issoamylamine, iso-pentylamine, isopentyl amine, iso-amyl amine, l-Isoaminopentane, 3-methyl butylamine, 3-methylbutyl amine, amino 3-methylbutane, Isopentylamine, IAA, MFCD00008203, (3-methylbutyl)amine, 3-methyl-butyl-amine, Isopentylamine, 99%, Isopentylamine, >=98%, 3-Methyl-1-butanamine #, butane, 1-amino-3-methyl-, (3-methyl-but-1-yl)-amine, laquo gammaRaquo -isoamylamine, 3-Methyl-1-butanamine, 9CI, GTPL5506, DTXCID0033047, FEMA 3219, Isopentylamine, analytical standard, STR05627, BDBM50024589, STL185592, AKOS000119764, FI35550, Isopentylamine, purum, >=98.0% (GC), DB-040790, I0082, NS00007079, EN300-19704, C02640, Q2835874, F2190-0364, 203-526-0
Topological Polar Surface Area 26.0
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 6.0
Description 3-Methyl-1-butylamine is widespread in fungi and higher plants e.g. apple, banana, wine grape, swede, rhubarb, porcini (Boletus edulis). 3-Methyl-1-butylamine is found in many foods, some of which are black elderberry, root vegetables, french plantain, and spinach.
Isotope Atom Count 0.0
Molecular Complexity 25.1
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P28838
Iupac Name 3-methylbutan-1-amine
Prediction Hob 1.0
Class Organonitrogen compounds
Xlogp 1.0
Superclass Organic nitrogen compounds
Subclass Amines
Molecular Formula C5H13N
Prediction Swissadme 0.0
Inchi Key BMFVGAAISNGQNM-UHFFFAOYSA-N
Fcsp3 1.0
Logs 0.239
Rotatable Bond Count 2.0
Logd 0.463
Synonyms &laquo, gamma&raquo, -isoamylamine, 1-Amino-3-methylbutane, 1-Aminoisopentane, 1-Butanamine, 3-methyl-, 3-Methyl-1-butanamine, 3-Methyl-1-butanamine, 9CI, 3-Methyl-butylamine, 3-METHYLBUTAN-1-AMINE, 3-Methylbutanamine, 3-Methylbutylamine, 3,3-Dimethyl-propylamine, 3,3-Dimethylpropylamine, Butylamine, 3-methyl-, FEMA 3219, g-Isoamylamine, Gamma-isoamylamine, Isoamylamine, Isoamylamine, reag, Isobutylcarbylamine, Isopentylamine, Isovalerylamine, Laquo gammaraquo -isoamylamine, LEN, Leucamine, Monoisoamylamine, Monoisopentylamine, Propylamine, 3,3-dimethyl-, γ-isoamylamine, gamma-Isoamylamine, Γ-isoamylamine, 3-Methyl-1-butanamine, 9ci, 3-METHYLBUTAN-1-amine, laquo gammaraquo -Isoamylamine, Isoamylamine hydrochloride, Isoamylamine carbonate (1:1)
Compound Name Isoamylamine
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 87.1048
Formal Charge 0.0
Monoisotopic Mass 87.1048
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 87.16
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aliphatic acyclic compounds
Esol -0.8595292
Inchi InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
Smiles CC(C)CCN
Nring 0.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Monoalkylamines