3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol

C14H29NO — CID 115660374

IUPAC3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCCC(C)C1
InChIInChI=1S/C14H29NO/c1-3-5-13(8-9-16)11-15-14-7-4-6-12(2)10-14/h12-16H,3-11H2,1-2H3
InChIKeyVQBNUHFQVJDPJX-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds7

About 3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol

3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol (PubChem CID 115660374) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol
PubChem CID115660374
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCCC(C)C1
InChIInChI=1S/C14H29NO/c1-3-5-13(8-9-16)11-15-14-7-4-6-12(2)10-14/h12-16H,3-11H2,1-2H3
InChIKeyVQBNUHFQVJDPJX-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol
CID 106114664
2-[(cyclobutylamino)methyl]pentan-1-ol
CID 117241776
3-[(thian-3-ylamino)methyl]hexan-1-ol
CID 115882200
3-[(thian-4-ylamino)methyl]hexan-1-ol
CID 111470638
3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol
CID 103787444
3-[(thietan-3-ylamino)methyl]hexan-1-ol
CID 135393035
trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol
CID 106115022
N-(2-ethylhexyl)-3-methylcyclopentan-1-amine
CID 64500388
3-[(thiolan-3-ylamino)methyl]hexan-1-ol
CID 115725378
4-methyl-1-[(3-methylcyclohexyl)amino]pentan-2-ol
CID 111466545
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone
CID 103707935

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol (CID 115660374) is 3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol is CCCC(CCO)CNC1CCCC(C)C1.
What is the InChIKey of 3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol?
The InChIKey is VQBNUHFQVJDPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-13(8-9-16)11-15-14-7-4-6-12(2)10-14/h12-16H,3-11H2,1-2H3.
What are the key properties of 3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol?
3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 115660374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).