N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine

C14H27N — CID 115652182

IUPACN-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCC2CC2C)CC1
InChIInChI=1S/C14H27N/c1-10(2)12-4-6-14(7-5-12)15-9-13-8-11(13)3/h10-15H,4-9H2,1-3H3
InChIKeyWIQDBTUKLFFLCY-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.45
Rot. Bonds4

About N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine

N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 115652182) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID115652182
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(NCC2CC2C)CC1
InChIInChI=1S/C14H27N/c1-10(2)12-4-6-14(7-5-12)15-9-13-8-11(13)3/h10-15H,4-9H2,1-3H3
InChIKeyWIQDBTUKLFFLCY-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-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 N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 115652182) is N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(NCC2CC2C)CC1.
What is the InChIKey of N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is WIQDBTUKLFFLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-10(2)12-4-6-14(7-5-12)15-9-13-8-11(13)3/h10-15H,4-9H2,1-3H3.
What are the key properties of N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 115652182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).