2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C11H21N — CID 123306364

IUPAC2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCCCCN1CC2CCCC2C1
InChIInChI=1S/C11H21N/c1-2-3-7-12-8-10-5-4-6-11(10)9-12/h10-11H,2-9H2,1H3
InChIKeyLLIVBMPFKYMUHS-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.52
Rot. Bonds3

About 2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 123306364) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID123306364
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCCCCN1CC2CCCC2C1
InChIInChI=1S/C11H21N/c1-2-3-7-12-8-10-5-4-6-11(10)9-12/h10-11H,2-9H2,1H3
InChIKeyLLIVBMPFKYMUHS-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 67672486
2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 21427660
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-3-one
CID 106801549
4,10-dibutyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
CID 162493113
2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane
CID 173320072
9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol
CID 105344264
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-one
CID 115560576
3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propane-1-thiol
CID 127003744
(3aS,6aS)-5-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850440
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-amine
CID 115560295
2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine
CID 98010112
4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-diethylbutan-1-amine;hydrochloride
CID 54609763

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 123306364) is 2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CCCCN1CC2CCCC2C1.
What is the InChIKey of 2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is LLIVBMPFKYMUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-7-12-8-10-5-4-6-11(10)9-12/h10-11H,2-9H2,1H3.
What are the key properties of 2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 167.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 123306364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).