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

C18H25N — CID 116506722

IUPAC2-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESc1cc(C2CCC3CCCC3N2)ccc1C1CCC1
InChIInChI=1S/C18H25N/c1-3-13(4-1)14-7-9-16(10-8-14)18-12-11-15-5-2-6-17(15)19-18/h7-10,13,15,17-19H,1-6,11-12H2
InChIKeyQQXUUQAFTVTEEK-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.55
Rot. Bonds2

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

2-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 116506722) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID116506722
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name2-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESc1cc(C2CCC3CCCC3N2)ccc1C1CCC1
InChIInChI=1S/C18H25N/c1-3-13(4-1)14-7-9-16(10-8-14)18-12-11-15-5-2-6-17(15)19-18/h7-10,13,15,17-19H,1-6,11-12H2
InChIKeyQQXUUQAFTVTEEK-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-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine with MolForge

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Related Compounds

2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 114606072
2-(3-ethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 113390991
7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline
CID 154555746
2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 59601190
1-chloro-4-(4-cyclobutylcyclohexyl)benzene
CID 70797476
2-(2-methoxy-4,6-dimethylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106781898
ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 156888841
4-(4-cyclobutylphenyl)-2,6-dimethylpiperidine
CID 114272272
1-cyclobutyl-4-iodobenzene
CID 155973384
1-(4-cyclohexylcyclohexyl)-4-methylbenzene;ethane
CID 91432939
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 5242210
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 66469339

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 2-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 116506722) is 2-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 2-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is c1cc(C2CCC3CCCC3N2)ccc1C1CCC1.
What is the InChIKey of 2-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is QQXUUQAFTVTEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-3-13(4-1)14-7-9-16(10-8-14)18-12-11-15-5-2-6-17(15)19-18/h7-10,13,15,17-19H,1-6,11-12H2.
What are the key properties of 2-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
2-(4-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-(4-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 116506722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).