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

C18H25N — CID 114606072

IUPAC2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESc1ccc(C2CCC3CCCC3N2)c(C2CCC2)c1
InChIInChI=1S/C18H25N/c1-2-9-16(15(8-1)13-5-3-6-13)18-12-11-14-7-4-10-17(14)19-18/h1-2,8-9,13-14,17-19H,3-7,10-12H2
InChIKeyAAWDTZYOPUFNIX-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.55
Rot. Bonds2

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

2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 114606072) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID114606072
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESc1ccc(C2CCC3CCCC3N2)c(C2CCC2)c1
InChIInChI=1S/C18H25N/c1-2-9-16(15(8-1)13-5-3-6-13)18-12-11-14-7-4-10-17(14)19-18/h1-2,8-9,13-14,17-19H,3-7,10-12H2
InChIKeyAAWDTZYOPUFNIX-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine with MolForge

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Related Compounds

2-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 116506722
3-(2-cyclopropylphenyl)-2-azabicyclo[3.1.0]hexane
CID 150333086
2-(2-cyclopentylphenyl)piperidine
CID 115005914
(1R,9S)-tricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-amine
CID 130765038
2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 113390991
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
2-(2-cyclohexylphenyl)pyrrolidine
CID 77131701
2-(2-cyclobutylphenyl)-4-methylpiperidine
CID 114605954
2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 103293892
ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 156888841
9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride
CID 3059576
4-(2-cyclobutylphenyl)-4-fluoropiperidine
CID 114607386

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 114606072) is 2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is c1ccc(C2CCC3CCCC3N2)c(C2CCC2)c1.
What is the InChIKey of 2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is AAWDTZYOPUFNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-2-9-16(15(8-1)13-5-3-6-13)18-12-11-14-7-4-10-17(14)19-18/h1-2,8-9,13-14,17-19H,3-7,10-12H2.
What are the key properties of 2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine has a molecular weight of 255.41 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 114606072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).