(1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane

C7H13N — CID 90327715

IUPAC(1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane
SMILESCN1CC[C@@H]2C[C@@]21C
InChIInChI=1S/C7H13N/c1-7-5-6(7)3-4-8(7)2/h6H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyCWPOPPQXXUOQFW-RQJHMYQMSA-N
MW111.19 g/mol
LogP1.10
Rot. Bonds

About (1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane

(1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane (PubChem CID 90327715) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane
PubChem CID90327715
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane
SMILESCN1CC[C@@H]2C[C@@]21C
InChIInChI=1S/C7H13N/c1-7-5-6(7)3-4-8(7)2/h6H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyCWPOPPQXXUOQFW-RQJHMYQMSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane (CID 90327715) is (1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane is CN1CC[C@@H]2C[C@@]21C.
What is the InChIKey of (1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane?
The InChIKey is CWPOPPQXXUOQFW-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13N/c1-7-5-6(7)3-4-8(7)2/h6H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane?
(1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane has a molecular weight of 111.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1,2-dimethyl-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 90327715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).