4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine

C13H24N2O — CID 79207655

IUPAC4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCN(CC1C=CC(N)C1)CC1CCOCC1
InChIInChI=1S/C13H24N2O/c1-15(9-11-4-6-16-7-5-11)10-12-2-3-13(14)8-12/h2-3,11-13H,4-10,14H2,1H3
InChIKeyQDSYVVIKPJOACU-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.25
Rot. Bonds4

About 4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine

4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine (PubChem CID 79207655) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine
PubChem CID79207655
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine
SMILESCN(CC1C=CC(N)C1)CC1CCOCC1
InChIInChI=1S/C13H24N2O/c1-15(9-11-4-6-16-7-5-11)10-12-2-3-13(14)8-12/h2-3,11-13H,4-10,14H2,1H3
InChIKeyQDSYVVIKPJOACU-UHFFFAOYSA-N
XLogP1.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-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 4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine (CID 79207655) is 4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine is CN(CC1C=CC(N)C1)CC1CCOCC1.
What is the InChIKey of 4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine?
The InChIKey is QDSYVVIKPJOACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-15(9-11-4-6-16-7-5-11)10-12-2-3-13(14)8-12/h2-3,11-13H,4-10,14H2,1H3.
What are the key properties of 4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine?
4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine has a molecular weight of 224.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 79207655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).