N-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C15H18N2S — CID 113390871

IUPACN-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCCc1ccsc1CNc1ccc2c(n1)CCC2
InChIInChI=1S/C15H18N2S/c1-2-11-8-9-18-14(11)10-16-15-7-6-12-4-3-5-13(12)17-15/h6-9H,2-5,10H2,1H3,(H,16,17)
InChIKeyHZPPZDBBWVYMMU-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.81
Rot. Bonds4

About N-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

N-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 113390871) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID113390871
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCCc1ccsc1CNc1ccc2c(n1)CCC2
InChIInChI=1S/C15H18N2S/c1-2-11-8-9-18-14(11)10-16-15-7-6-12-4-3-5-13(12)17-15/h6-9H,2-5,10H2,1H3,(H,16,17)
InChIKeyHZPPZDBBWVYMMU-UHFFFAOYSA-N
XLogP3.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-ethylthiophen-2-yl)methyl]-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-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 113390871) is N-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is CCc1ccsc1CNc1ccc2c(n1)CCC2.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is HZPPZDBBWVYMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-11-8-9-18-14(11)10-16-15-7-6-12-4-3-5-13(12)17-15/h6-9H,2-5,10H2,1H3,(H,16,17).
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
N-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 258.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 113390871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).