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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Related Compounds

3-tert-butyl-6-methyl-3-azabicyclo[3.1.0]hexane;6-tert-butyl-3-methyl-3-azabicyclo[3.1.0]hexane
CID 158420650
(4S,4aR,6R,7R,7aR)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol
CID 10702612
(3R,4R)-1,3,4-trimethylpyrrolidine
CID 58622802
ethane;(2S,6R)-2,4,6-trimethylmorpholine
CID 142013694
(5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 167261950
(1S,5R)-6-methyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 58030182
1,2,4,6-tetramethylpiperazine
CID 22088083
3,4-dimethanidyl-1-methylpyrrolidine;vanadium(2+)
CID 174116308
3-cyclopentyl-1,4-dimethylpyrrolidine
CID 155424989
ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine
CID 170715036
1,3,5,7,9-pentamethyl-1,3,7-triazecane
CID 154027656
ethane;1-ethyl-2,4,6-trimethylpiperazine
CID 145006849

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).