1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol

C17H33NO — CID 107450677

IUPAC1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(CN)(C2(O)CCCC(C(C)C)C2)CC1
InChIInChI=1S/C17H33NO/c1-13(2)15-5-4-8-17(19,11-15)16(12-18)9-6-14(3)7-10-16/h13-15,19H,4-12,18H2,1-3H3
InChIKeyVUYICOGUKBZLMC-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.72
Rot. Bonds3

About 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol

1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107450677) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol
PubChem CID107450677
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(CN)(C2(O)CCCC(C(C)C)C2)CC1
InChIInChI=1S/C17H33NO/c1-13(2)15-5-4-8-17(19,11-15)16(12-18)9-6-14(3)7-10-16/h13-15,19H,4-12,18H2,1-3H3
InChIKeyVUYICOGUKBZLMC-UHFFFAOYSA-N
XLogP3.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-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)cycloheptyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450682
1-[1-(aminomethyl)cyclooctyl]-4-propan-2-ylcycloheptan-1-ol
CID 80610748
1-[1-(aminomethyl)-3-methylcyclopentyl]cycloheptan-1-ol
CID 79128862
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-4,4-dimethylcycloheptan-1-ol
CID 79124186
1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
CID 79124196
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-methylcycloheptan-1-ol
CID 79124842
4-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]piperidin-4-ol
CID 79135943
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-3,3-dimethylcyclopentan-1-ol
CID 80699615
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-methylcyclohexan-1-ol
CID 79126602
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol
CID 79125209
1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449241
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-propan-2-ylcyclohexan-1-ol
CID 79135033

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol (CID 107450677) is 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol is CC1CCC(CN)(C2(O)CCCC(C(C)C)C2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is VUYICOGUKBZLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-13(2)15-5-4-8-17(19,11-15)16(12-18)9-6-14(3)7-10-16/h13-15,19H,4-12,18H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol?
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-methylcyclohexyl]-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107450677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).