1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine

C18H37NO — CID 103032331

IUPAC1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCCCCC1CCC(C(CCC(C)(C)OC)NC)CC1
InChIInChI=1S/C18H37NO/c1-6-7-8-15-9-11-16(12-10-15)17(19-4)13-14-18(2,3)20-5/h15-17,19H,6-14H2,1-5H3
InChIKeyODXLDLPCXBXAOZ-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.78
Rot. Bonds9

About 1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine

1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine (PubChem CID 103032331) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine
PubChem CID103032331
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine
SMILESCCCCC1CCC(C(CCC(C)(C)OC)NC)CC1
InChIInChI=1S/C18H37NO/c1-6-7-8-15-9-11-16(12-10-15)17(19-4)13-14-18(2,3)20-5/h15-17,19H,6-14H2,1-5H3
InChIKeyODXLDLPCXBXAOZ-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-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 1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The IUPAC name of 1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine (CID 103032331) is 1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine is CCCCC1CCC(C(CCC(C)(C)OC)NC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine?
The InChIKey is ODXLDLPCXBXAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-6-7-8-15-9-11-16(12-10-15)17(19-4)13-14-18(2,3)20-5/h15-17,19H,6-14H2,1-5H3.
What are the key properties of 1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine?
1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-4-methoxy-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 103032331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).