N-Methylhexylamine
PubChem CID: 37079
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| Compound Synonyms | N-Methylhexylamine, 35161-70-7, N-methylhexan-1-amine, n-Hexylmethylamine, Hexylmethylamine, 1-Hexanamine, N-methyl-, HEXYLAMINE, N-METHYL-, Hexanamine, N-methyl-, n-Hexyl-N-methylamine, BRN 1731685, L24KKS9ZHC, hexyl(methyl)amine, hexyl-methyl-amine, EINECS 252-410-6, N-n-Hexylmethylamine, N-METHYL-1-AMINOHEXANE, DTXSID80188658, 4-04-00-00710 (Beilstein Handbook Reference), Hexylmethyl amine, MFCD00042908, N-methyl-N-hexylamine, N-Methyl-1-hexanamine, UNII-L24KKS9ZHC, n-Hexyl-N-methylamine #, N-Hexylmethylamine, 96%, SCHEMBL23172, SCHEMBL12500643, DTXCID40111149, STR08673, AKOS005296777, SB75372, DB-000333, NS00029787, E78234, EN300-862096, 252-410-6 |
|---|---|
| Topological Polar Surface Area | 12.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 35.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-methylhexan-1-amine |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C7H17N |
| Prediction Swissadme | 0.0 |
| Inchi Key | XJINZNWPEQMMBV-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.918 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.316 |
| Compound Name | N-Methylhexylamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 115.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 115.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 115.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5662639999999999 |
| Inchi | InChI=1S/C7H17N/c1-3-4-5-6-7-8-2/h8H,3-7H2,1-2H3 |
| Smiles | CCCCCCNC |
| 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 - 2. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients