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

C13H25N — CID 106778439

IUPAC2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCC(C)CCC1CCC2CCCC2N1
InChIInChI=1S/C13H25N/c1-10(2)6-8-12-9-7-11-4-3-5-13(11)14-12/h10-14H,3-9H2,1-2H3
InChIKeyAXYXJZOOJIJVRO-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds3

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

2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 106778439) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID106778439
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCC(C)CCC1CCC2CCCC2N1
InChIInChI=1S/C13H25N/c1-10(2)6-8-12-9-7-11-4-3-5-13(11)14-12/h10-14H,3-9H2,1-2H3
InChIKeyAXYXJZOOJIJVRO-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-octyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778471
2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridin-2-ylmethanethiol
CID 89216652
(2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride
CID 67499147
2-(3-methylsulfonylpropyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778104
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylmethanamine
CID 66469009
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-2-methylpropan-2-amine
CID 66470012
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine
CID 79470156
2-[(4-tert-butylphenyl)methyl]-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 106778586
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine
CID 66470617
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
CID 82950918
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N,2-dimethylpropan-1-amine
CID 43272229
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethylcyclohexanamine
CID 66471620

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of 2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 106778439) is 2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for 2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is CC(C)CCC1CCC2CCCC2N1.
What is the InChIKey of 2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is AXYXJZOOJIJVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)6-8-12-9-7-11-4-3-5-13(11)14-12/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 106778439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).