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

C11H22N2 — CID 129229204

IUPAC(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESCCC(C)N1CC[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C11H22N2/c1-3-9(2)13-7-5-10-4-6-12-11(10)8-13/h9-12H,3-8H2,1-2H3/t9?,10-,11+/m0/s1
InChIKeyMAYBFTPSTQPRIH-QXXIUIOUSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds2

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

(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (PubChem CID 129229204) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
PubChem CID129229204
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESCCC(C)N1CC[C@@H]2CCN[C@@H]2C1
InChIInChI=1S/C11H22N2/c1-3-9(2)13-7-5-10-4-6-12-11(10)8-13/h9-12H,3-8H2,1-2H3/t9?,10-,11+/m0/s1
InChIKeyMAYBFTPSTQPRIH-QXXIUIOUSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

(3aS,6aS)-5-butan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850447
(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 166764383
(4aS,7aS)-6-butan-2-yl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678881
4-(1-butan-2-ylpyrrolidin-3-yl)piperidine;ethane
CID 170578445
3-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl)butanenitrile
CID 130684748
3-cyclopropyl-1-hexan-2-yl-1,4-diazepane
CID 64950354
(4aS,8aR)-6-butan-2-yl-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazine
CID 134177948
3-cyclopropyl-1-octan-2-ylpiperazine
CID 64925345
3-cyclopropyl-1-heptan-2-yl-1,4-diazepane
CID 64945390
7-[2-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)propyl]-2-propan-2-yl-2,8-diazaspiro[3.5]nonane
CID 129229164
3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-1,4-diazepane
CID 64951403
3-cyclohexyl-1-(3-methylpentan-2-yl)-1,4-diazepane
CID 64944397

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The IUPAC name of (3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (CID 129229204) is (3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for (3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for (3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is CCC(C)N1CC[C@@H]2CCN[C@@H]2C1.
What is the InChIKey of (3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The InChIKey is MAYBFTPSTQPRIH-QXXIUIOUSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-9(2)13-7-5-10-4-6-12-11(10)8-13/h9-12H,3-8H2,1-2H3/t9?,10-,11+/m0/s1.
What are the key properties of (3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
(3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-6-butan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 129229204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).