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

C17H33NO — CID 137428599

IUPAC5-butoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine
SMILESCCCCOC1CCC(C2CCC(C)CC2)C(N)C1
InChIInChI=1S/C17H33NO/c1-3-4-11-19-15-9-10-16(17(18)12-15)14-7-5-13(2)6-8-14/h13-17H,3-12,18H2,1-2H3
InChIKeyJPLPWJOVYLBOSN-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.13
Rot. Bonds5

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

5-butoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine (PubChem CID 137428599) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 5-butoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name5-butoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine
PubChem CID137428599
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name5-butoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine
SMILESCCCCOC1CCC(C2CCC(C)CC2)C(N)C1
InChIInChI=1S/C17H33NO/c1-3-4-11-19-15-9-10-16(17(18)12-15)14-7-5-13(2)6-8-14/h13-17H,3-12,18H2,1-2H3
InChIKeyJPLPWJOVYLBOSN-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-butoxy-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-butoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 5-butoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine (CID 137428599) is 5-butoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 5-butoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 5-butoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine is CCCCOC1CCC(C2CCC(C)CC2)C(N)C1.
What is the InChIKey of 5-butoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine?
The InChIKey is JPLPWJOVYLBOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-4-11-19-15-9-10-16(17(18)12-15)14-7-5-13(2)6-8-14/h13-17H,3-12,18H2,1-2H3.
What are the key properties of 5-butoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine?
5-butoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-(4-methylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 137428599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).