4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol

C16H31NO — CID 114146901

IUPAC4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CC(NCC2CCC(O)CC2)CC(C)(C)C1
InChIInChI=1S/C16H31NO/c1-12-8-14(10-16(2,3)9-12)17-11-13-4-6-15(18)7-5-13/h12-15,17-18H,4-11H2,1-3H3
InChIKeyAOOYVRCQNWCTQK-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.34
Rot. Bonds3

About 4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol

4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol (PubChem CID 114146901) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
PubChem CID114146901
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CC(NCC2CCC(O)CC2)CC(C)(C)C1
InChIInChI=1S/C16H31NO/c1-12-8-14(10-16(2,3)9-12)17-11-13-4-6-15(18)7-5-13/h12-15,17-18H,4-11H2,1-3H3
InChIKeyAOOYVRCQNWCTQK-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

3-[[(3,3-dimethylcyclobutyl)amino]methyl]cyclopentan-1-ol
CID 130693816
N-[3-(cyclopropylmethoxy)propyl]-3,3,5-trimethylcyclohexan-1-amine
CID 43081894
4,4-dimethyl-1-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65115104
3,3,5-trimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
CID 60854964
(2S)-1-[(3,3,5-trimethylcyclohexyl)amino]propan-2-ol
CID 103884021
5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 164649744
N'-(3,3,5-trimethylcyclohexyl)ethane-1,2-diamine
CID 60887199
trans-(1S,5R)-N-(3-ethoxypropyl)-3,3,5-trimethylcyclohexan-1-amine
CID 8024888
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
4-[[(2,4-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 106127277
(3,3,5-trimethylcyclohexyl) 4-hydroxycyclohexane-1-carboxylate
CID 71616044
3,3-dimethyl-N-[(3-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107411686

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol (CID 114146901) is 4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol is CC1CC(NCC2CCC(O)CC2)CC(C)(C)C1.
What is the InChIKey of 4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is AOOYVRCQNWCTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12-8-14(10-16(2,3)9-12)17-11-13-4-6-15(18)7-5-13/h12-15,17-18H,4-11H2,1-3H3.
What are the key properties of 4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol?
4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,3,5-trimethylcyclohexyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 114146901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).