6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane

C11H19N — CID 69116334

IUPAC6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)=CCN1CC2C(C)C2C1
InChIInChI=1S/C11H19N/c1-8(2)4-5-12-6-10-9(3)11(10)7-12/h4,9-11H,5-7H2,1-3H3
InChIKeyNJVXNNLOIXOXIW-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.15
Rot. Bonds2

About 6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane

6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 69116334) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane
PubChem CID69116334
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)=CCN1CC2C(C)C2C1
InChIInChI=1S/C11H19N/c1-8(2)4-5-12-6-10-9(3)11(10)7-12/h4,9-11H,5-7H2,1-3H3
InChIKeyNJVXNNLOIXOXIW-UHFFFAOYSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane (CID 69116334) is 6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane is CC(C)=CCN1CC2C(C)C2C1.
What is the InChIKey of 6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is NJVXNNLOIXOXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8(2)4-5-12-6-10-9(3)11(10)7-12/h4,9-11H,5-7H2,1-3H3.
What are the key properties of 6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane?
6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 165.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 69116334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).