2-butan-2-yl-2-azabicyclo[3.1.0]hexane

C9H17N — CID 130976839

IUPAC2-butan-2-yl-2-azabicyclo[3.1.0]hexane
SMILESCCC(C)N1CCC2CC21
InChIInChI=1S/C9H17N/c1-3-7(2)10-5-4-8-6-9(8)10/h7-9H,3-6H2,1-2H3
InChIKeyFRNLTUULUNUIQS-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.88
Rot. Bonds2

About 2-butan-2-yl-2-azabicyclo[3.1.0]hexane

2-butan-2-yl-2-azabicyclo[3.1.0]hexane (PubChem CID 130976839) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-butan-2-yl-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-butan-2-yl-2-azabicyclo[3.1.0]hexane
PubChem CID130976839
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-butan-2-yl-2-azabicyclo[3.1.0]hexane
SMILESCCC(C)N1CCC2CC21
InChIInChI=1S/C9H17N/c1-3-7(2)10-5-4-8-6-9(8)10/h7-9H,3-6H2,1-2H3
InChIKeyFRNLTUULUNUIQS-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-2-azabicyclo[3.1.0]hexane?
The IUPAC name of 2-butan-2-yl-2-azabicyclo[3.1.0]hexane (CID 130976839) is 2-butan-2-yl-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-butan-2-yl-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for 2-butan-2-yl-2-azabicyclo[3.1.0]hexane is CCC(C)N1CCC2CC21.
What is the InChIKey of 2-butan-2-yl-2-azabicyclo[3.1.0]hexane?
The InChIKey is FRNLTUULUNUIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-7(2)10-5-4-8-6-9(8)10/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-butan-2-yl-2-azabicyclo[3.1.0]hexane?
2-butan-2-yl-2-azabicyclo[3.1.0]hexane has a molecular weight of 139.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 130976839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).