N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine

C13H27N — CID 79308584

IUPACN-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine
SMILESCCC(NC)C1CC(C)CC(C)(C)C1
InChIInChI=1S/C13H27N/c1-6-12(14-5)11-7-10(2)8-13(3,4)9-11/h10-12,14H,6-9H2,1-5H3
InChIKeyHNFRIERCSLKNKV-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds3

About N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine

N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine (PubChem CID 79308584) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine
PubChem CID79308584
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine
SMILESCCC(NC)C1CC(C)CC(C)(C)C1
InChIInChI=1S/C13H27N/c1-6-12(14-5)11-7-10(2)8-13(3,4)9-11/h10-12,14H,6-9H2,1-5H3
InChIKeyHNFRIERCSLKNKV-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-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-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine?
The IUPAC name of N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine (CID 79308584) is N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine?
The canonical SMILES for N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine is CCC(NC)C1CC(C)CC(C)(C)C1.
What is the InChIKey of N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine?
The InChIKey is HNFRIERCSLKNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-12(14-5)11-7-10(2)8-13(3,4)9-11/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine?
N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3,3,5-trimethylcyclohexyl)propan-1-amine is sourced from PubChem (CID 79308584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).