(1-prop-2-enylcyclopentyl)methanamine

C9H17N — CID 11513759

IUPAC(1-prop-2-enylcyclopentyl)methanamine
SMILESC=CCC1(CN)CCCC1
InChIInChI=1S/C9H17N/c1-2-5-9(8-10)6-3-4-7-9/h2H,1,3-8,10H2
InChIKeyIQZRTZIYKLXUEK-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.08
Rot. Bonds3

About (1-prop-2-enylcyclopentyl)methanamine

(1-prop-2-enylcyclopentyl)methanamine (PubChem CID 11513759) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (1-prop-2-enylcyclopentyl)methanamine.

Molecular Properties

Compound Name(1-prop-2-enylcyclopentyl)methanamine
PubChem CID11513759
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(1-prop-2-enylcyclopentyl)methanamine
SMILESC=CCC1(CN)CCCC1
InChIInChI=1S/C9H17N/c1-2-5-9(8-10)6-3-4-7-9/h2H,1,3-8,10H2
InChIKeyIQZRTZIYKLXUEK-UHFFFAOYSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1-prop-2-enylcyclopentyl)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 (1-prop-2-enylcyclopentyl)methanamine?
The IUPAC name of (1-prop-2-enylcyclopentyl)methanamine (CID 11513759) is (1-prop-2-enylcyclopentyl)methanamine.
What is the SMILES notation for (1-prop-2-enylcyclopentyl)methanamine?
The canonical SMILES for (1-prop-2-enylcyclopentyl)methanamine is C=CCC1(CN)CCCC1.
What is the InChIKey of (1-prop-2-enylcyclopentyl)methanamine?
The InChIKey is IQZRTZIYKLXUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-5-9(8-10)6-3-4-7-9/h2H,1,3-8,10H2.
What are the key properties of (1-prop-2-enylcyclopentyl)methanamine?
(1-prop-2-enylcyclopentyl)methanamine has a molecular weight of 139.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-enylcyclopentyl)methanamine is sourced from PubChem (CID 11513759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).