4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine

C12H23N — CID 165153694

IUPAC4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC(C)CC12CCCNC1CCC2
InChIInChI=1S/C12H23N/c1-10(2)9-12-6-3-5-11(12)13-8-4-7-12/h10-11,13H,3-9H2,1-2H3
InChIKeyPNLJDJCACUWLME-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds2

About 4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine

4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 165153694) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID165153694
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC(C)CC12CCCNC1CCC2
InChIInChI=1S/C12H23N/c1-10(2)9-12-6-3-5-11(12)13-8-4-7-12/h10-11,13H,3-9H2,1-2H3
InChIKeyPNLJDJCACUWLME-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(4aS,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methanol
CID 124667692
(4aS)-4a-methyl-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 176835290
N,N-dimethyl-2-(1-pyrrolidin-2-ylcyclobutyl)ethanamine
CID 83908015
3a-(bromomethyl)-1,2,3,4,5,6,7,7a-octahydroindole
CID 165465881
(4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
CID 71362985
2,2-bis(2-methylpropyl)pyrrolidine
CID 66465846
2-tert-butyl-2-(2-methylpropyl)pyrrolidine
CID 66468102
1-(2-methylpropyl)bicyclo[1.1.0]butane
CID 90914425
1-(2-methylpropyl)-3-azabicyclo[3.2.0]heptane
CID 84763447
[(4aS,8R,8aS)-4a-ethyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-8-yl]methanol
CID 25268241
3a-tert-butyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole
CID 172524050
1-(azepan-2-yl)-4-propylcycloheptan-1-ol
CID 65090460

Frequently Asked Questions

What is the IUPAC name of 4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of 4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 165153694) is 4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for 4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for 4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine is CC(C)CC12CCCNC1CCC2.
What is the InChIKey of 4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is PNLJDJCACUWLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)9-12-6-3-5-11(12)13-8-4-7-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine?
4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 181.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a-(2-methylpropyl)-1,2,3,4,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 165153694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).