Heptaminol
PubChem CID: 3590
Connections displayed (default: 10).
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| Compound Synonyms | heptaminol, 6-amino-2-methylheptan-2-ol, 372-66-7, 6-Amino-2-methyl-2-heptanol, Corasore, Heptaminolum, Ginkor, 2-HEPTANOL, 6-AMINO-2-METHYL-, 2-Methyl-2-hydroxy-6-aminoheptane, Heptaminol [INN:BAN], Heptaminolum [INN-Latin], EINECS 206-758-0, UNII-3DQS188SY5, Heptaminol (INN), 2-methyl-6-amino-2-heptanol, BRN 1209267, 3DQS188SY5, 6-hydroxy-6-methyl-2-heptamine, HEPTAMINOL [MI], 2-Amino-6-hydroxy-6-methylheptane, HEPTAMINOL [INN], RP-2831 hydrochloride, HEPTAMINOL [WHO-DD], DTXSID4048484, 4-04-00-01809 (Beilstein Handbook Reference), 6-METHYL-2-AMINO-6-HEPTANOL, Heptaminol (>85%), 6-HYDROXY-6-METHYL-2-HEPTYLAMINE, 6-HYDROXY-6-METHYL-2-AMINOHEPTANE, (5-HYDROXY-1,5-DIMETHYLHEXYL)AMINE, Heptaminolum (INN-Latin), Ginkor Fort, eptaminolo, Gincor-fort, acAfylline heptaminol, Spectrum_000001, Prestwick0_000015, Prestwick1_000015, Prestwick2_000015, Prestwick3_000015, Spectrum2_001536, Spectrum3_001907, Spectrum4_000167, Spectrum5_001020, 6-amino2-methyl-2-heptanol, BSPBio_000049, BSPBio_003474, KBioGR_000653, KBioSS_000341, DivK1c_000924, SCHEMBL152610, SPBio_001352, SPBio_001970, BPBio1_000055, CHEMBL2111076, DTXCID0028458, CHEBI:94362, KBio1_000924, KBio2_000341, KBio2_002909, KBio2_005477, KBio3_002978, C01DX08, NINDS_000924, BDBM50101812, STK664816, AKOS005536007, DB13574, HY-W685943, IDI1_000924, NCGC00178043-01, NCGC00178043-02, 1ST11095, 6-Amino-2-methyl-2-heptanol, AldrichCPR, 6-amino-2-methylheptan-2-ol,hydrochloride, SBI-0051789.P002, AB00053652, CS-0769718, NS00005329, D07158, G73857, AB00053652_04, A874136, Q417921, BRD-A32988684-003-01-2, BRD-A32988684-003-08-7, 206-758-0 |
|---|---|
| Topological Polar Surface Area | 46.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 91.3 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O35505, n.a. |
| Iupac Name | 6-amino-2-methylheptan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C8H19NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | LREQLEBVOXIEOM-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | 0.494 |
| Rotatable Bond Count | 4.0 |
| Logd | -0.047 |
| Compound Name | Heptaminol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 145.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 145.147 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 145.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9301252 |
| Inchi | InChI=1S/C8H19NO/c1-7(9)5-4-6-8(2,3)10/h7,10H,4-6,9H2,1-3H3 |
| Smiles | CC(CCCC(C)(C)O)N |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all