2,3-Dimethyl-2-azabicyclo[3.1.0]hexane

C7H13N — CID 58928457

IUPAC2,3-dimethyl-2-azabicyclo[3.1.0]hexane
SMILESCC1CC2CC2N1C
InChIInChI=1S/C7H13N/c1-5-3-6-4-7(6)8(5)2/h5-7H,3-4H2,1-2H3
InChIKeyMOJCDPXUTZRFCJ-UHFFFAOYSA-N
MW111.18 g/mol
LogP1.30
Rot. Bonds

About 2,3-Dimethyl-2-azabicyclo[3.1.0]hexane

2,3-Dimethyl-2-azabicyclo[3.1.0]hexane (PubChem CID 58928457) has the molecular formula C7H13N and a molecular weight of 111.18 g/mol. Its IUPAC name is 2,3-dimethyl-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2,3-Dimethyl-2-azabicyclo[3.1.0]hexane
PubChem CID58928457
Molecular FormulaC7H13N
Molecular Weight111.18 g/mol
Exact Mass111.10
IUPAC Name2,3-dimethyl-2-azabicyclo[3.1.0]hexane
SMILESCC1CC2CC2N1C
InChIInChI=1S/C7H13N/c1-5-3-6-4-7(6)8(5)2/h5-7H,3-4H2,1-2H3
InChIKeyMOJCDPXUTZRFCJ-UHFFFAOYSA-N
XLogP1.30
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity111

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-Dimethyl-2-azabicyclo[3.1.0]hexane?
The IUPAC name of 2,3-Dimethyl-2-azabicyclo[3.1.0]hexane (CID 58928457) is 2,3-dimethyl-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 2,3-Dimethyl-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for 2,3-Dimethyl-2-azabicyclo[3.1.0]hexane is CC1CC2CC2N1C.
What is the InChIKey of 2,3-Dimethyl-2-azabicyclo[3.1.0]hexane?
The InChIKey is MOJCDPXUTZRFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-3-6-4-7(6)8(5)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,3-Dimethyl-2-azabicyclo[3.1.0]hexane?
2,3-Dimethyl-2-azabicyclo[3.1.0]hexane has a molecular weight of 111.18 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-Dimethyl-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 58928457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).