1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine

C15H23N3 — CID 106738366

IUPAC1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine
SMILESNCC(Nc1ccc2c(n1)CCC2)C1CCCC1
InChIInChI=1S/C15H23N3/c16-10-14(11-4-1-2-5-11)18-15-9-8-12-6-3-7-13(12)17-15/h8-9,11,14H,1-7,10,16H2,(H,17,18)
InChIKeyYNXBVWGIJJEEKA-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.50
Rot. Bonds4

About 1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine

1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine (PubChem CID 106738366) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine
PubChem CID106738366
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine
SMILESNCC(Nc1ccc2c(n1)CCC2)C1CCCC1
InChIInChI=1S/C15H23N3/c16-10-14(11-4-1-2-5-11)18-15-9-8-12-6-3-7-13(12)17-15/h8-9,11,14H,1-7,10,16H2,(H,17,18)
InChIKeyYNXBVWGIJJEEKA-UHFFFAOYSA-N
XLogP2.50
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine 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-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine (CID 106738366) is 1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine is NCC(Nc1ccc2c(n1)CCC2)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine?
The InChIKey is YNXBVWGIJJEEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c16-10-14(11-4-1-2-5-11)18-15-9-8-12-6-3-7-13(12)17-15/h8-9,11,14H,1-7,10,16H2,(H,17,18).
What are the key properties of 1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine?
1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 106738366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).