2,6-dimethyl-1-azabicyclo[2.2.0]hexane

C7H13N — CID 177010118

IUPAC2,6-dimethyl-1-azabicyclo[2.2.0]hexane
SMILESCC1CC2CC(C)N12
InChIInChI=1S/C7H13N/c1-5-3-7-4-6(2)8(5)7/h5-7H,3-4H2,1-2H3
InChIKeyJLSKAPBBUOVGRW-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.24
Rot. Bonds

About 2,6-dimethyl-1-azabicyclo[2.2.0]hexane

2,6-dimethyl-1-azabicyclo[2.2.0]hexane (PubChem CID 177010118) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2,6-dimethyl-1-azabicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2,6-dimethyl-1-azabicyclo[2.2.0]hexane
PubChem CID177010118
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2,6-dimethyl-1-azabicyclo[2.2.0]hexane
SMILESCC1CC2CC(C)N12
InChIInChI=1S/C7H13N/c1-5-3-7-4-6(2)8(5)7/h5-7H,3-4H2,1-2H3
InChIKeyJLSKAPBBUOVGRW-UHFFFAOYSA-N
XLogP1.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-methyl-9-azatricyclo[3.3.1.03,9]nonane
CID 59882553
1-(3,5-dimethylcyclohexyl)-2,6-dimethylpiperazine
CID 64730271
(2S,4R)-2,4,6-trimethyl-1,5-diazabicyclo[3.1.0]hexane
CID 639498
(2R,4S,8S,10R)-2,4,8,10-tetramethyl-1,5,7,11-tetrazatetracyclo[9.2.1.05,13.07,12]tetradecane
CID 15691263
9-(3,5-dimethylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 64734277
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 114541288
2-hydroxy-3,7-dimethyl-2-azabicyclo[3.3.1]nonane
CID 144503973
(3-methyl-8-azabicyclo[3.2.1]octan-8-yl)phosphane
CID 145265766
(2R,4R)-1-[(2R,4R)-2,4-dimethylpiperidin-1-yl]-2,4-dimethylpiperidine
CID 13239021
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 114541275
3-fluoro-1-(3-methylcyclopentyl)azetidine
CID 123353317
1,3,6,8-tetramethylcyclodecane
CID 162455053

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-azabicyclo[2.2.0]hexane?
The IUPAC name of 2,6-dimethyl-1-azabicyclo[2.2.0]hexane (CID 177010118) is 2,6-dimethyl-1-azabicyclo[2.2.0]hexane.
What is the SMILES notation for 2,6-dimethyl-1-azabicyclo[2.2.0]hexane?
The canonical SMILES for 2,6-dimethyl-1-azabicyclo[2.2.0]hexane is CC1CC2CC(C)N12.
What is the InChIKey of 2,6-dimethyl-1-azabicyclo[2.2.0]hexane?
The InChIKey is JLSKAPBBUOVGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-3-7-4-6(2)8(5)7/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethyl-1-azabicyclo[2.2.0]hexane?
2,6-dimethyl-1-azabicyclo[2.2.0]hexane has a molecular weight of 111.19 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-azabicyclo[2.2.0]hexane is sourced from PubChem (CID 177010118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).