5-methylcyclododecan-1-amine

C13H27N — CID 138488786

IUPAC5-methylcyclododecan-1-amine
SMILESCC1CCCCCCCC(N)CCC1
InChIInChI=1S/C13H27N/c1-12-8-5-3-2-4-6-10-13(14)11-7-9-12/h12-13H,2-11,14H2,1H3
InChIKeyKJVZMTIEYPNKIW-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.86
Rot. Bonds

About 5-methylcyclododecan-1-amine

5-methylcyclododecan-1-amine (PubChem CID 138488786) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 5-methylcyclododecan-1-amine.

Molecular Properties

Compound Name5-methylcyclododecan-1-amine
PubChem CID138488786
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name5-methylcyclododecan-1-amine
SMILESCC1CCCCCCCC(N)CCC1
InChIInChI=1S/C13H27N/c1-12-8-5-3-2-4-6-10-13(14)11-7-9-12/h12-13H,2-11,14H2,1H3
InChIKeyKJVZMTIEYPNKIW-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-methylcyclododecan-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 5-methylcyclododecan-1-amine?
The IUPAC name of 5-methylcyclododecan-1-amine (CID 138488786) is 5-methylcyclododecan-1-amine.
What is the SMILES notation for 5-methylcyclododecan-1-amine?
The canonical SMILES for 5-methylcyclododecan-1-amine is CC1CCCCCCCC(N)CCC1.
What is the InChIKey of 5-methylcyclododecan-1-amine?
The InChIKey is KJVZMTIEYPNKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12-8-5-3-2-4-6-10-13(14)11-7-9-12/h12-13H,2-11,14H2,1H3.
What are the key properties of 5-methylcyclododecan-1-amine?
5-methylcyclododecan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclododecan-1-amine is sourced from PubChem (CID 138488786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).