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

C11H25N — CID 178147119

IUPAC3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane
SMILESCC.CC.CC1C2CN(C)CC12
InChIInChI=1S/C7H13N.2C2H6/c1-5-6-3-8(2)4-7(5)6;2*1-2/h5-7H,3-4H2,1-2H3;2*1-2H3
InChIKeyQMFNWSLATQTPAM-UHFFFAOYSA-N
MW171.33 g/mol
LogP2.87
Rot. Bonds

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

3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane (PubChem CID 178147119) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane.

Molecular Properties

Compound Name3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane
PubChem CID178147119
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane
SMILESCC.CC.CC1C2CN(C)CC12
InChIInChI=1S/C7H13N.2C2H6/c1-5-6-3-8(2)4-7(5)6;2*1-2/h5-7H,3-4H2,1-2H3;2*1-2H3
InChIKeyQMFNWSLATQTPAM-UHFFFAOYSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane?
The IUPAC name of 3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane (CID 178147119) is 3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane.
What is the SMILES notation for 3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane?
The canonical SMILES for 3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane is CC.CC.CC1C2CN(C)CC12.
What is the InChIKey of 3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane?
The InChIKey is QMFNWSLATQTPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.2C2H6/c1-5-6-3-8(2)4-7(5)6;2*1-2/h5-7H,3-4H2,1-2H3;2*1-2H3.
What are the key properties of 3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane?
3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane has a molecular weight of 171.33 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane is sourced from PubChem (CID 178147119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).