2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

C16H23N — CID 113390991

IUPAC2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCCc1cccc(C2CCC3CCCC3N2)c1
InChIInChI=1S/C16H23N/c1-2-12-5-3-7-14(11-12)16-10-9-13-6-4-8-15(13)17-16/h3,5,7,11,13,15-17H,2,4,6,8-10H2,1H3
InChIKeyILNUMAFJXWZHJE-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.84
Rot. Bonds2

About 2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 113390991) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID113390991
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCCc1cccc(C2CCC3CCCC3N2)c1
InChIInChI=1S/C16H23N/c1-2-12-5-3-7-14(11-12)16-10-9-13-6-4-8-15(13)17-16/h3,5,7,11,13,15-17H,2,4,6,8-10H2,1H3
InChIKeyILNUMAFJXWZHJE-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 59601190
5-(3-ethylphenyl)pyrrolidine-2-carboxylic acid
CID 112693420
2-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 116506722
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 114606072
cyclobutylbenzene;ethane;1-ethyl-3-methylbenzene
CID 142052735
1-[(1R)-2,2-dimethylcyclopropyl]-3-ethylbenzene
CID 142058084
7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline
CID 154555746
4-(3-ethylphenyl)piperidine-2,6-dione
CID 170001328
cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene
CID 142052943
4-(3-ethylphenyl)-2-methylpyrrolidine
CID 126676814
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine
CID 66471626

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 113390991) is 2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is CCc1cccc(C2CCC3CCCC3N2)c1.
What is the InChIKey of 2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is ILNUMAFJXWZHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-12-5-3-7-14(11-12)16-10-9-13-6-4-8-15(13)17-16/h3,5,7,11,13,15-17H,2,4,6,8-10H2,1H3.
What are the key properties of 2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine has a molecular weight of 229.37 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 113390991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).