3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane

C12H23N — CID 58403915

IUPAC3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)C1C2CC2CN1C(C)(C)C
InChIInChI=1S/C12H23N/c1-8(2)11-10-6-9(10)7-13(11)12(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeySFKXOQPYXNIKKS-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.76
Rot. Bonds1

About 3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane

3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 58403915) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID58403915
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)C1C2CC2CN1C(C)(C)C
InChIInChI=1S/C12H23N/c1-8(2)11-10-6-9(10)7-13(11)12(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeySFKXOQPYXNIKKS-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 58403915) is 3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane is CC(C)C1C2CC2CN1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is SFKXOQPYXNIKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-8(2)11-10-6-9(10)7-13(11)12(3,4)5/h8-11H,6-7H2,1-5H3.
What are the key properties of 3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane?
3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 181.32 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 58403915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).