[1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine

C17H33NO — CID 63475151

IUPAC[1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
SMILESCC1CCC(OC2(CN)CCC(C(C)C)CC2)CC1
InChIInChI=1S/C17H33NO/c1-13(2)15-8-10-17(12-18,11-9-15)19-16-6-4-14(3)5-7-16/h13-16H,4-12,18H2,1-3H3
InChIKeyMNPLCJKYGGUMFM-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.13
Rot. Bonds4

About [1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine

[1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 63475151) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is [1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
PubChem CID63475151
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name[1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine
SMILESCC1CCC(OC2(CN)CCC(C(C)C)CC2)CC1
InChIInChI=1S/C17H33NO/c1-13(2)15-8-10-17(12-18,11-9-15)19-16-6-4-14(3)5-7-16/h13-16H,4-12,18H2,1-3H3
InChIKeyMNPLCJKYGGUMFM-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze [1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine 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-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine (CID 63475151) is [1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine is CC1CCC(OC2(CN)CCC(C(C)C)CC2)CC1.
What is the InChIKey of [1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is MNPLCJKYGGUMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-13(2)15-8-10-17(12-18,11-9-15)19-16-6-4-14(3)5-7-16/h13-16H,4-12,18H2,1-3H3.
What are the key properties of [1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine?
[1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 63475151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).