1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol

C16H31NO — CID 81314911

IUPAC1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)C1(CN)CCCCC1
InChIInChI=1S/C16H31NO/c1-13-11-14(2,3)9-10-16(13,18)15(12-17)7-5-4-6-8-15/h13,18H,4-12,17H2,1-3H3
InChIKeyOQYORQJSYSPCDD-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.47
Rot. Bonds2

About 1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol

1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol (PubChem CID 81314911) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol
PubChem CID81314911
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)C1(CN)CCCCC1
InChIInChI=1S/C16H31NO/c1-13-11-14(2,3)9-10-16(13,18)15(12-17)7-5-4-6-8-15/h13,18H,4-12,17H2,1-3H3
InChIKeyOQYORQJSYSPCDD-UHFFFAOYSA-N
XLogP3.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(aminomethyl)-4-tert-butylcyclohexyl]-2,4,4-trimethylcyclopentan-1-ol
CID 106664470
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-2,3-dimethylcyclohexan-1-ol
CID 79124822
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]cycloheptan-1-ol
CID 79127542
1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
CID 79123958
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol
CID 79126602
1-[1-(aminomethyl)cyclobutyl]-2,3-dimethylcyclohexan-1-ol
CID 79123457
1-[1-(aminomethyl)cycloheptyl]cyclohexan-1-ol
CID 79128633
1-[1-(aminomethyl)-3-methylcyclopentyl]cycloheptan-1-ol
CID 79128862
1-(aminomethyl)-N,2,4,4-tetramethylcyclohexan-1-amine
CID 81321065
cis-(1R,2S)-1-(aminomethyl)-2-methylcyclohexan-1-ol
CID 93046973
1-(1-aminobutan-2-yl)-2,4,4-trimethylcyclohexan-1-ol
CID 81314260
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-4,4-dimethylcyclohexan-1-ol
CID 79124995

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol (CID 81314911) is 1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol is CC1CC(C)(C)CCC1(O)C1(CN)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol?
The InChIKey is OQYORQJSYSPCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13-11-14(2,3)9-10-16(13,18)15(12-17)7-5-4-6-8-15/h13,18H,4-12,17H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol?
1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-2,4,4-trimethylcyclohexan-1-ol is sourced from PubChem (CID 81314911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).