1,3-dimethyl-3-azabicyclo[3.1.0]hexane

C7H13N — CID 58944885

IUPAC1,3-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2CC2(C)C1
InChIInChI=1S/C7H13N/c1-7-3-6(7)4-8(2)5-7/h6H,3-5H2,1-2H3
InChIKeyCAEAVTHQAYVVTE-UHFFFAOYSA-N
MW111.19 g/mol
LogP0.96
Rot. Bonds

About 1,3-dimethyl-3-azabicyclo[3.1.0]hexane

1,3-dimethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 58944885) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1,3-dimethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,3-dimethyl-3-azabicyclo[3.1.0]hexane
PubChem CID58944885
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1,3-dimethyl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2CC2(C)C1
InChIInChI=1S/C7H13N/c1-7-3-6(7)4-8(2)5-7/h6H,3-5H2,1-2H3
InChIKeyCAEAVTHQAYVVTE-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1,3-dimethyl-3-azabicyclo[3.1.0]hexane (CID 58944885) is 1,3-dimethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1,3-dimethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1,3-dimethyl-3-azabicyclo[3.1.0]hexane is CN1CC2CC2(C)C1.
What is the InChIKey of 1,3-dimethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is CAEAVTHQAYVVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-7-3-6(7)4-8(2)5-7/h6H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-3-azabicyclo[3.1.0]hexane?
1,3-dimethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 111.19 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 58944885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).