3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane

C11H21N — CID 138601855

IUPAC3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane
SMILESCC(C)C1NC2CC2C1C(C)C
InChIInChI=1S/C11H21N/c1-6(2)10-8-5-9(8)12-11(10)7(3)4/h6-12H,5H2,1-4H3
InChIKeyRDIXZVSUEBFBBQ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.27
Rot. Bonds2

About 3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane

3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane (PubChem CID 138601855) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane
PubChem CID138601855
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane
SMILESCC(C)C1NC2CC2C1C(C)C
InChIInChI=1S/C11H21N/c1-6(2)10-8-5-9(8)12-11(10)7(3)4/h6-12H,5H2,1-4H3
InChIKeyRDIXZVSUEBFBBQ-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane?
The IUPAC name of 3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane (CID 138601855) is 3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane is CC(C)C1NC2CC2C1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane?
The InChIKey is RDIXZVSUEBFBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-6(2)10-8-5-9(8)12-11(10)7(3)4/h6-12H,5H2,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane?
3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane has a molecular weight of 167.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 138601855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).