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

C9H18N2 — CID 167138391

IUPAC7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine
SMILESCC1(C)CNCC2CCNC21
InChIInChI=1S/C9H18N2/c1-9(2)6-10-5-7-3-4-11-8(7)9/h7-8,10-11H,3-6H2,1-2H3
InChIKeyDVMCTYOFGWMVBY-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.59
Rot. Bonds

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

7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine (PubChem CID 167138391) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine
PubChem CID167138391
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine
SMILESCC1(C)CNCC2CCNC21
InChIInChI=1S/C9H18N2/c1-9(2)6-10-5-7-3-4-11-8(7)9/h7-8,10-11H,3-6H2,1-2H3
InChIKeyDVMCTYOFGWMVBY-UHFFFAOYSA-N
XLogP0.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrazolo[4,3-c]pyridine
CID 170905784
(3aS,6S,6aR)-6-methyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[b]pyrrol-6-ol
CID 170098111
(3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine
CID 124512269
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
CID 82418792
5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine
CID 176945855
1,8,8-trimethyl-2,3,3a,4,5,6,7,8a-octahydropyrrolo[2,3-d]azepine
CID 144812865
3,3-dimethyl-N-pyrrolidin-3-ylazetidine-2-carboxamide
CID 131114361
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane
CID 143810009
4-tert-butyl-3,3-dimethylpyrrolidine
CID 121207422
(3S,4S)-5,5-dimethylpiperidine-3,4-diol
CID 11550031
1-methyl-3-azabicyclo[3.2.1]octane
CID 55286397

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine (CID 167138391) is 7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine is CC1(C)CNCC2CCNC21.
What is the InChIKey of 7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine?
The InChIKey is DVMCTYOFGWMVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2)6-10-5-7-3-4-11-8(7)9/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of 7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine?
7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine has a molecular weight of 154.26 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,2,3,3a,4,5,6,7a-octahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 167138391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).