5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine

C14H27NO — CID 137428476

IUPAC5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine
SMILESCOC1CCC(C2CCC(C)CC2)C(N)C1
InChIInChI=1S/C14H27NO/c1-10-3-5-11(6-4-10)13-8-7-12(16-2)9-14(13)15/h10-14H,3-9,15H2,1-2H3
InChIKeyRBEXJBVWOOYSAE-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.96
Rot. Bonds2

About 5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine

5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine (PubChem CID 137428476) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine
PubChem CID137428476
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine
SMILESCOC1CCC(C2CCC(C)CC2)C(N)C1
InChIInChI=1S/C14H27NO/c1-10-3-5-11(6-4-10)13-8-7-12(16-2)9-14(13)15/h10-14H,3-9,15H2,1-2H3
InChIKeyRBEXJBVWOOYSAE-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine (CID 137428476) is 5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine is COC1CCC(C2CCC(C)CC2)C(N)C1.
What is the InChIKey of 5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine?
The InChIKey is RBEXJBVWOOYSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-10-3-5-11(6-4-10)13-8-7-12(16-2)9-14(13)15/h10-14H,3-9,15H2,1-2H3.
What are the key properties of 5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine?
5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 137428476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).