2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane

C13H28N2 — CID 145242282

IUPAC2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane
SMILESCC.CC1CC2(C)CN(C)CC2(C)CN1
InChIInChI=1S/C11H22N2.C2H6/c1-9-5-10(2)7-13(4)8-11(10,3)6-12-9;1-2/h9,12H,5-8H2,1-4H3;1-2H3
InChIKeyNUIWVQCDERYZLY-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds

About 2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane

2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane (PubChem CID 145242282) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane.

Molecular Properties

Compound Name2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane
PubChem CID145242282
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane
SMILESCC.CC1CC2(C)CN(C)CC2(C)CN1
InChIInChI=1S/C11H22N2.C2H6/c1-9-5-10(2)7-13(4)8-11(10,3)6-12-9;1-2/h9,12H,5-8H2,1-4H3;1-2H3
InChIKeyNUIWVQCDERYZLY-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane with MolForge

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Related Compounds

3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
CID 126796964
ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane
CID 168910371
ethane;propane;2,4,4-trimethylpyrrolidine
CID 144594134
trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
CID 7154578
4,4,5,5-tetrafluoro-2-methylpiperidine
CID 157309012
2-methyl-2,7-diazaspiro[3.4]octan-6-ol
CID 155381764
2,4-dimethyl-4-(2-methylpropyl)pyrrolidine
CID 166463716
1,2,2,5-tetramethylpiperazine
CID 64846101
cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate
CID 10981759
3-fluoro-1,3-dimethylazetidine
CID 89296536
3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 176992944
(3aR,6aS)-5-cyclopropyl-2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 170409631

Frequently Asked Questions

What is the IUPAC name of 2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane?
The IUPAC name of 2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane (CID 145242282) is 2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane.
What is the SMILES notation for 2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane?
The canonical SMILES for 2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane is CC.CC1CC2(C)CN(C)CC2(C)CN1.
What is the InChIKey of 2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane?
The InChIKey is NUIWVQCDERYZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C2H6/c1-9-5-10(2)7-13(4)8-11(10,3)6-12-9;1-2/h9,12H,5-8H2,1-4H3;1-2H3.
What are the key properties of 2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane?
2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane has a molecular weight of 212.38 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane is sourced from PubChem (CID 145242282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).