N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine

C14H20N2 — CID 80525238

IUPACN-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine
SMILESCCCNCC1(c2ccncc2)CC=CC1
InChIInChI=1S/C14H20N2/c1-2-9-16-12-14(7-3-4-8-14)13-5-10-15-11-6-13/h3-6,10-11,16H,2,7-9,12H2,1H3
InChIKeyPXTQOHAEGYVGPE-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.67
Rot. Bonds5

About N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine

N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine (PubChem CID 80525238) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine
PubChem CID80525238
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine
SMILESCCCNCC1(c2ccncc2)CC=CC1
InChIInChI=1S/C14H20N2/c1-2-9-16-12-14(7-3-4-8-14)13-5-10-15-11-6-13/h3-6,10-11,16H,2,7-9,12H2,1H3
InChIKeyPXTQOHAEGYVGPE-UHFFFAOYSA-N
XLogP2.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-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 N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine (CID 80525238) is N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine is CCCNCC1(c2ccncc2)CC=CC1.
What is the InChIKey of N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine?
The InChIKey is PXTQOHAEGYVGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-9-16-12-14(7-3-4-8-14)13-5-10-15-11-6-13/h3-6,10-11,16H,2,7-9,12H2,1H3.
What are the key properties of N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine?
N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-4-ylcyclopent-3-en-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 80525238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).