6,6-dimethyl-3-azabicyclo[3.1.0]hexane

C7H13N — CID 54594901

IUPAC6,6-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESCC1(C)C2CNCC21
InChIInChI=1S/C7H13N/c1-7(2)5-3-8-4-6(5)7/h5-6,8H,3-4H2,1-2H3
InChIKeyBGOMFPZIMJCRDV-UHFFFAOYSA-N
MW111.19 g/mol
LogP0.86
Rot. Bonds

About 6,6-dimethyl-3-azabicyclo[3.1.0]hexane

6,6-dimethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 54594901) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 6,6-dimethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6,6-dimethyl-3-azabicyclo[3.1.0]hexane
PubChem CID54594901
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name6,6-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESCC1(C)C2CNCC21
InChIInChI=1S/C7H13N/c1-7(2)5-3-8-4-6(5)7/h5-6,8H,3-4H2,1-2H3
InChIKeyBGOMFPZIMJCRDV-UHFFFAOYSA-N
XLogP0.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6,6-dimethyl-3-azabicyclo[3.1.0]hexane (CID 54594901) is 6,6-dimethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6,6-dimethyl-3-azabicyclo[3.1.0]hexane is CC1(C)C2CNCC21.
What is the InChIKey of 6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is BGOMFPZIMJCRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-7(2)5-3-8-4-6(5)7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 6,6-dimethyl-3-azabicyclo[3.1.0]hexane?
6,6-dimethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 111.19 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 54594901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).