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

C9H18N2 — CID 142497849

IUPAC(3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESCC1C[C@@H]2CN(C)C[C@@H]2CN1
InChIInChI=1S/C9H18N2/c1-7-3-8-5-11(2)6-9(8)4-10-7/h7-10H,3-6H2,1-2H3/t7?,8-,9+/m1/s1
InChIKeyPIFBWQMTNMMIDI-ASODMVGOSA-N
MW154.26 g/mol
LogP0.55
Rot. Bonds

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

(3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine (PubChem CID 142497849) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name(3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
PubChem CID142497849
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine
SMILESCC1C[C@@H]2CN(C)C[C@@H]2CN1
InChIInChI=1S/C9H18N2/c1-7-3-8-5-11(2)6-9(8)4-10-7/h7-10H,3-6H2,1-2H3/t7?,8-,9+/m1/s1
InChIKeyPIFBWQMTNMMIDI-ASODMVGOSA-N
XLogP0.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-methyl-3-(5-methylpyrrolidin-3-yl)pyrrolidine
CID 117269613
4-methyl-3-azabicyclo[4.1.0]heptane
CID 21339025
(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 34180510
(2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 124526119
(3aR,6aR)-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
CID 135393186
(7aS)-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
CID 154934002
3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine
CID 142484502
methanol;3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 168977897
3-methoxy-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine
CID 142444179
(3aR,6aS)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 147950414
1,2,5,7-tetramethyl-1,4-diazepane
CID 22088644
3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 121205235

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The IUPAC name of (3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine (CID 142497849) is (3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for (3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for (3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine is CC1C[C@@H]2CN(C)C[C@@H]2CN1.
What is the InChIKey of (3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
The InChIKey is PIFBWQMTNMMIDI-ASODMVGOSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-3-8-5-11(2)6-9(8)4-10-7/h7-10H,3-6H2,1-2H3/t7?,8-,9+/m1/s1.
What are the key properties of (3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine?
(3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine has a molecular weight of 154.26 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-2,6-dimethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 142497849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).