N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine

C11H14N2 — CID 115696455

IUPACN-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
SMILESC1=CCC(NCc2ccccn2)C1
InChIInChI=1S/C11H14N2/c1-2-6-10(5-1)13-9-11-7-3-4-8-12-11/h1-4,7-8,10,13H,5-6,9H2
InChIKeyYZKKNHXQCSSLJW-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.89
Rot. Bonds3

About N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine

N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine (PubChem CID 115696455) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
PubChem CID115696455
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
SMILESC1=CCC(NCc2ccccn2)C1
InChIInChI=1S/C11H14N2/c1-2-6-10(5-1)13-9-11-7-3-4-8-12-11/h1-4,7-8,10,13H,5-6,9H2
InChIKeyYZKKNHXQCSSLJW-UHFFFAOYSA-N
XLogP1.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(pyridin-2-ylmethyl)cyclopent-3-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

Related Compounds

ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
iodoethane;1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine
CID 159564484
3-phenyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
CID 43632173
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
N-(pyridin-2-ylmethyl)thiolan-3-amine
CID 43178951
trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434617
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
CID 75994063
4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide
CID 43433255
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092
3-methylsulfanyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 115656374

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine?
The IUPAC name of N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine (CID 115696455) is N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine?
The canonical SMILES for N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine is C1=CCC(NCc2ccccn2)C1.
What is the InChIKey of N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine?
The InChIKey is YZKKNHXQCSSLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-6-10(5-1)13-9-11-7-3-4-8-12-11/h1-4,7-8,10,13H,5-6,9H2.
What are the key properties of N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine?
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine has a molecular weight of 174.25 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine is sourced from PubChem (CID 115696455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).