3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

C16H18N2 — CID 146618854

IUPAC3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESCCc1c(-c2ccccc2)nc2c(c1N)CCC2
InChIInChI=1S/C16H18N2/c1-2-12-15(17)13-9-6-10-14(13)18-16(12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,17,18)
InChIKeyUSTGLDWZADZQPD-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.38
Rot. Bonds2

About 3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (PubChem CID 146618854) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.

Molecular Properties

Compound Name3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
PubChem CID146618854
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESCCc1c(-c2ccccc2)nc2c(c1N)CCC2
InChIInChI=1S/C16H18N2/c1-2-12-15(17)13-9-6-10-14(13)18-16(12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,17,18)
InChIKeyUSTGLDWZADZQPD-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The IUPAC name of 3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (CID 146618854) is 3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.
What is the SMILES notation for 3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The canonical SMILES for 3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is CCc1c(-c2ccccc2)nc2c(c1N)CCC2.
What is the InChIKey of 3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The InChIKey is USTGLDWZADZQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-12-15(17)13-9-6-10-14(13)18-16(12)11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,17,18).
What are the key properties of 3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is sourced from PubChem (CID 146618854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).