N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C16H18N2 — CID 113390795

IUPACN-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESc1ccc(CCNc2ccc3c(n2)CCC3)cc1
InChIInChI=1S/C16H18N2/c1-2-5-13(6-3-1)11-12-17-16-10-9-14-7-4-8-15(14)18-16/h1-3,5-6,9-10H,4,7-8,11-12H2,(H,17,18)
InChIKeyIOWHBLPGWRAZCX-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.22
Rot. Bonds4

About N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 113390795) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID113390795
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESc1ccc(CCNc2ccc3c(n2)CCC3)cc1
InChIInChI=1S/C16H18N2/c1-2-5-13(6-3-1)11-12-17-16-10-9-14-7-4-8-15(14)18-16/h1-3,5-6,9-10H,4,7-8,11-12H2,(H,17,18)
InChIKeyIOWHBLPGWRAZCX-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-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-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 113390795) is N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is c1ccc(CCNc2ccc3c(n2)CCC3)cc1.
What is the InChIKey of N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is IOWHBLPGWRAZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-5-13(6-3-1)11-12-17-16-10-9-14-7-4-8-15(14)18-16/h1-3,5-6,9-10H,4,7-8,11-12H2,(H,17,18).
What are the key properties of N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 238.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 113390795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).