1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane

C9H17N — CID 167503016

IUPAC1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane
SMILESCC1C2(C)CN(C)CC12C
InChIInChI=1S/C9H17N/c1-7-8(2)5-10(4)6-9(7,8)3/h7H,5-6H2,1-4H3
InChIKeyDQMKQYYYKAHGRD-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.59
Rot. Bonds

About 1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane

1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 167503016) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane
PubChem CID167503016
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane
SMILESCC1C2(C)CN(C)CC12C
InChIInChI=1S/C9H17N/c1-7-8(2)5-10(4)6-9(7,8)3/h7H,5-6H2,1-4H3
InChIKeyDQMKQYYYKAHGRD-UHFFFAOYSA-N
XLogP1.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane (CID 167503016) is 1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane is CC1C2(C)CN(C)CC12C.
What is the InChIKey of 1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is DQMKQYYYKAHGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-8(2)5-10(4)6-9(7,8)3/h7H,5-6H2,1-4H3.
What are the key properties of 1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane?
1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 139.24 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 167503016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).