4-Methylpent-3-en-1-amine
PubChem CID: 533848
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| Compound Synonyms | 4-methylpent-3-en-1-amine, 4-Methyl-3-penten-1-amine, 13296-28-1, 1-amino-4-methyl-3-pentene, 4-Methyl-pent-3-enylamine, 4-Methyl-3-penten-1-amine #, CHEBI:87502, KGNHJDRDIDXUHY-UHFFFAOYSA-, AKOS011839221, EN300-174267, Q27159678, InChI=1/C6H13N/c1-6(2)4-3-5-7/h4H,3,5,7H2,1-2H3, 841-654-4 |
|---|---|
| Topological Polar Surface Area | 26.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 60.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methylpent-3-en-1-amine |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Is Pains | False |
| Molecular Formula | C6H13N |
| Prediction Swissadme | 0.0 |
| Inchi Key | KGNHJDRDIDXUHY-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 4-Methylpent-3-en-1-amine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 99.1048 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 99.1048 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 99.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1103974 |
| Inchi | InChI=1S/C6H13N/c1-6(2)4-3-5-7/h4H,3,5,7H2,1-2H3 |
| Smiles | CC(=CCCN)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients