6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine

C8H16N2 — CID 165117127

IUPAC6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
SMILESCC1CC2NCCC2CN1
InChIInChI=1S/C8H16N2/c1-6-4-8-7(5-10-6)2-3-9-8/h6-10H,2-5H2,1H3
InChIKeyGPLXDIRWRIDPCP-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.35
Rot. Bonds

About 6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine

6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine (PubChem CID 165117127) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
PubChem CID165117127
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
SMILESCC1CC2NCCC2CN1
InChIInChI=1S/C8H16N2/c1-6-4-8-7(5-10-6)2-3-9-8/h6-10H,2-5H2,1H3
InChIKeyGPLXDIRWRIDPCP-UHFFFAOYSA-N
XLogP0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine with MolForge

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Related Compounds

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CID 82594092
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CID 154934002
5-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 70336035
(5S)-2,5-dimethyl-1,4-diazepane
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CID 168977897
4-(3,4-dimethylcyclohexyl)-2-methylpiperidine
CID 106779525
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
CID 82418792
2-methyl-4-(oxan-4-yl)piperidine
CID 106778946
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane
CID 143810009
(5S,7R)-5,7-dimethyl-1,4-diazepane
CID 55288229

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine (CID 165117127) is 6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine is CC1CC2NCCC2CN1.
What is the InChIKey of 6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is GPLXDIRWRIDPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-4-8-7(5-10-6)2-3-9-8/h6-10H,2-5H2,1H3.
What are the key properties of 6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine?
6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 140.23 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 165117127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).