[(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine

C10H20N2 — CID 22286913

IUPAC[(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine
SMILESNC/C1=C(\CN)CCCCCC1
InChIInChI=1S/C10H20N2/c11-7-9-5-3-1-2-4-6-10(9)8-12/h1-8,11-12H2/b10-9-
InChIKeyAWFKWCKHPAQJRG-KTKRTIGZSA-N
MW168.28 g/mol
LogP1.55
Rot. Bonds2

About [(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine

[(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine (PubChem CID 22286913) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is [(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine.

Molecular Properties

Compound Name[(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine
PubChem CID22286913
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name[(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine
SMILESNC/C1=C(\CN)CCCCCC1
InChIInChI=1S/C10H20N2/c11-7-9-5-3-1-2-4-6-10(9)8-12/h1-8,11-12H2/b10-9-
InChIKeyAWFKWCKHPAQJRG-KTKRTIGZSA-N
XLogP1.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine 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 [(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine?
The IUPAC name of [(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine (CID 22286913) is [(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine.
What is the SMILES notation for [(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine?
The canonical SMILES for [(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine is NC/C1=C(\CN)CCCCCC1.
What is the InChIKey of [(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine?
The InChIKey is AWFKWCKHPAQJRG-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H20N2/c11-7-9-5-3-1-2-4-6-10(9)8-12/h1-8,11-12H2/b10-9-.
What are the key properties of [(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine?
[(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine has a molecular weight of 168.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine is sourced from PubChem (CID 22286913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).