3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane

C8H15N — CID 20702471

IUPAC3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2C(C1)C2(C)C
InChIInChI=1S/C8H15N/c1-8(2)6-4-9(3)5-7(6)8/h6-7H,4-5H2,1-3H3
InChIKeySAVQYTIOIHINTF-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.20
Rot. Bonds

About 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane

3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 20702471) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane
PubChem CID20702471
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2C(C1)C2(C)C
InChIInChI=1S/C8H15N/c1-8(2)6-4-9(3)5-7(6)8/h6-7H,4-5H2,1-3H3
InChIKeySAVQYTIOIHINTF-UHFFFAOYSA-N
XLogP1.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane (CID 20702471) is 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane is CN1CC2C(C1)C2(C)C.
What is the InChIKey of 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is SAVQYTIOIHINTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-8(2)6-4-9(3)5-7(6)8/h6-7H,4-5H2,1-3H3.
What are the key properties of 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane?
3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 125.22 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 20702471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).