3-(aminomethyl)cyclooctan-1-amine

C9H20N2 — CID 18694894

IUPAC3-(aminomethyl)cyclooctan-1-amine
SMILESNCC1CCCCCC(N)C1
InChIInChI=1S/C9H20N2/c10-7-8-4-2-1-3-5-9(11)6-8/h8-9H,1-7,10-11H2
InChIKeyZJQKRVXPFQARLA-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.24
Rot. Bonds1

About 3-(aminomethyl)cyclooctan-1-amine

3-(aminomethyl)cyclooctan-1-amine (PubChem CID 18694894) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-(aminomethyl)cyclooctan-1-amine.

Molecular Properties

Compound Name3-(aminomethyl)cyclooctan-1-amine
PubChem CID18694894
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name3-(aminomethyl)cyclooctan-1-amine
SMILESNCC1CCCCCC(N)C1
InChIInChI=1S/C9H20N2/c10-7-8-4-2-1-3-5-9(11)6-8/h8-9H,1-7,10-11H2
InChIKeyZJQKRVXPFQARLA-UHFFFAOYSA-N
XLogP1.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)cyclooctan-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 3-(aminomethyl)cyclooctan-1-amine?
The IUPAC name of 3-(aminomethyl)cyclooctan-1-amine (CID 18694894) is 3-(aminomethyl)cyclooctan-1-amine.
What is the SMILES notation for 3-(aminomethyl)cyclooctan-1-amine?
The canonical SMILES for 3-(aminomethyl)cyclooctan-1-amine is NCC1CCCCCC(N)C1.
What is the InChIKey of 3-(aminomethyl)cyclooctan-1-amine?
The InChIKey is ZJQKRVXPFQARLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c10-7-8-4-2-1-3-5-9(11)6-8/h8-9H,1-7,10-11H2.
What are the key properties of 3-(aminomethyl)cyclooctan-1-amine?
3-(aminomethyl)cyclooctan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)cyclooctan-1-amine is sourced from PubChem (CID 18694894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).