N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine

C15H27N — CID 104854373

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCC2(C3CC3)CC2)CC1C
InChIInChI=1S/C15H27N/c1-11-3-6-14(9-12(11)2)16-10-15(7-8-15)13-4-5-13/h11-14,16H,3-10H2,1-2H3
InChIKeySMOUFDTXYXBGFY-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.59
Rot. Bonds4

About N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine

N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine (PubChem CID 104854373) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine
PubChem CID104854373
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCC2(C3CC3)CC2)CC1C
InChIInChI=1S/C15H27N/c1-11-3-6-14(9-12(11)2)16-10-15(7-8-15)13-4-5-13/h11-14,16H,3-10H2,1-2H3
InChIKeySMOUFDTXYXBGFY-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-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-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine (CID 104854373) is N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine is CC1CCC(NCC2(C3CC3)CC2)CC1C.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine?
The InChIKey is SMOUFDTXYXBGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-11-3-6-14(9-12(11)2)16-10-15(7-8-15)13-4-5-13/h11-14,16H,3-10H2,1-2H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine?
N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 104854373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).