6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole

C11H22N2 — CID 142638690

IUPAC6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole
SMILESCCCCC12CNCC1(C)CCN2
InChIInChI=1S/C11H22N2/c1-3-4-5-11-9-12-8-10(11,2)6-7-13-11/h12-13H,3-9H2,1-2H3
InChIKeyBURFIVFFAUHPOO-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.52
Rot. Bonds3

About 6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole

6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 142638690) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID142638690
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole
SMILESCCCCC12CNCC1(C)CCN2
InChIInChI=1S/C11H22N2/c1-3-4-5-11-9-12-8-10(11,2)6-7-13-11/h12-13H,3-9H2,1-2H3
InChIKeyBURFIVFFAUHPOO-UHFFFAOYSA-N
XLogP1.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 145389820
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3-butyl-3-fluoroazetidine
CID 112563312
3-butyl-3-fluoropyrrolidine
CID 112564219
(3-butylpyrrolidin-3-yl)methanol
CID 66059430
2,2-dibutyl-1,1-dimethylpiperazin-1-ium
CID 67229366
1,5-dimethyl-3-azabicyclo[3.2.0]heptane
CID 23049848
3,6-diethyl-3-hexyl-6-pentylazepane
CID 59903813
3-methyl-3-propylpyrrolidine
CID 22393542
(3S)-3-methyl-3-propylpyrrolidine
CID 94411768
2-butyl-2-hexylpyrrolidine
CID 174534205
4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride
CID 86633674

Frequently Asked Questions

What is the IUPAC name of 6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole (CID 142638690) is 6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole is CCCCC12CNCC1(C)CCN2.
What is the InChIKey of 6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is BURFIVFFAUHPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-4-5-11-9-12-8-10(11,2)6-7-13-11/h12-13H,3-9H2,1-2H3.
What are the key properties of 6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole?
6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 182.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 142638690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).