6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

C11H21N — CID 168995872

IUPAC6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCC(C)C1CC2CCCNC2C1
InChIInChI=1S/C11H21N/c1-8(2)10-6-9-4-3-5-12-11(9)7-10/h8-12H,3-7H2,1-2H3
InChIKeyXISMEALJEHZESM-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds1

About 6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine

6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 168995872) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID168995872
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCC(C)C1CC2CCCNC2C1
InChIInChI=1S/C11H21N/c1-8(2)10-6-9-4-3-5-12-11(9)7-10/h8-12H,3-7H2,1-2H3
InChIKeyXISMEALJEHZESM-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Launch Full Analysis

Related Compounds

6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 83905624
2-azabicyclo[4.1.0]heptane;molecular hydrogen
CID 144713678
1-(2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepin-7-yl)ethanol
CID 121011035
8-propan-2-yl-1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclonona[b]pyrrole
CID 166956408
6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;hydrochloride
CID 155858923
6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;6-tert-butyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;5-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;2-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 158694990
6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 43185318
1-(3-propan-2-ylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 107449492
2-cyclopentylpyrrolidine
CID 4031549
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
(4aR,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol
CID 30106225

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 168995872) is 6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is CC(C)C1CC2CCCNC2C1.
What is the InChIKey of 6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is XISMEALJEHZESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)10-6-9-4-3-5-12-11(9)7-10/h8-12H,3-7H2,1-2H3.
What are the key properties of 6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine has a molecular weight of 167.30 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 168995872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).