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

C11H22N2 — CID 83846794

IUPAC1-methyl-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESCC(C)N1CC2CNCCC2C1C
InChIInChI=1S/C11H22N2/c1-8(2)13-7-10-6-12-5-4-11(10)9(13)3/h8-12H,4-7H2,1-3H3
InChIKeyNSNCPDMSPYNVGN-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.32
Rot. Bonds1

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

1-methyl-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine (PubChem CID 83846794) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-methyl-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name1-methyl-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
PubChem CID83846794
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-methyl-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESCC(C)N1CC2CNCCC2C1C
InChIInChI=1S/C11H22N2/c1-8(2)13-7-10-6-12-5-4-11(10)9(13)3/h8-12H,4-7H2,1-3H3
InChIKeyNSNCPDMSPYNVGN-UHFFFAOYSA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Launch Full Analysis

Related Compounds

4-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211470
(1S,6S)-7-propan-2-yl-3,7-diazabicyclo[4.2.0]octane
CID 164821497
4-methyl-5-(3-methylbutan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66211270
6-methyl-5-propan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 83846103
2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-ol
CID 130503341
4-methyl-5-nonan-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213400
7-methyl-1-propan-2-yl-1,4-diazepane
CID 64871378
(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride
CID 57463733
methyl 3-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butanoate
CID 66208454
4-methyl-5-(1-phenylpropan-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66212440
(4aS,8aR)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
CID 166493348
(4aR,8aS)-4-propan-2-yl-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazine
CID 166493668

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 1-methyl-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine (CID 83846794) is 1-methyl-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 1-methyl-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 1-methyl-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine is CC(C)N1CC2CNCCC2C1C.
What is the InChIKey of 1-methyl-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The InChIKey is NSNCPDMSPYNVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)13-7-10-6-12-5-4-11(10)9(13)3/h8-12H,4-7H2,1-3H3.
What are the key properties of 1-methyl-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
1-methyl-2-propan-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 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 83846794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).