2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine

C11H22N2 — CID 130577937

IUPAC2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESCCC(C)N1CC2CCNCC2C1
InChIInChI=1S/C11H22N2/c1-3-9(2)13-7-10-4-5-12-6-11(10)8-13/h9-12H,3-8H2,1-2H3
InChIKeyJPQUVZKTJUCIQC-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.33
Rot. Bonds2

About 2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine

2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine (PubChem CID 130577937) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
PubChem CID130577937
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESCCC(C)N1CC2CCNCC2C1
InChIInChI=1S/C11H22N2/c1-3-9(2)13-7-10-4-5-12-6-11(10)8-13/h9-12H,3-8H2,1-2H3
InChIKeyJPQUVZKTJUCIQC-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine with MolForge

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Related Compounds

4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane
CID 170578445
6-(1-butan-2-ylazepan-3-yl)-1-ethyl-1,4-diazepane
CID 126747998
(3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850447
1-[5-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)-2-methylhexan-2-yl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 170142758
(4aS,7aS)-6-butan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678881
5-octan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211566
1-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one
CID 130577913
4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
CID 162493112
(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 129229204
9-butan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 82240951
(3aS,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 89279389
5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213526

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine (CID 130577937) is 2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine is CCC(C)N1CC2CCNCC2C1.
What is the InChIKey of 2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The InChIKey is JPQUVZKTJUCIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-9(2)13-7-10-4-5-12-6-11(10)8-13/h9-12H,3-8H2,1-2H3.
What are the key properties of 2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine has a molecular weight of 182.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 130577937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).