2-methyl-3-azabicyclo[3.1.0]hexane

C6H11N — CID 11550004

IUPAC2-methyl-3-azabicyclo[3.1.0]hexane
SMILESCC1NCC2CC21
InChIInChI=1S/C6H11N/c1-4-6-2-5(6)3-7-4/h4-7H,2-3H2,1H3
InChIKeyXEPSTPRNUJNDOM-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.61
Rot. Bonds

About 2-methyl-3-azabicyclo[3.1.0]hexane

2-methyl-3-azabicyclo[3.1.0]hexane (PubChem CID 11550004) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 2-methyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-methyl-3-azabicyclo[3.1.0]hexane
PubChem CID11550004
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name2-methyl-3-azabicyclo[3.1.0]hexane
SMILESCC1NCC2CC21
InChIInChI=1S/C6H11N/c1-4-6-2-5(6)3-7-4/h4-7H,2-3H2,1H3
InChIKeyXEPSTPRNUJNDOM-UHFFFAOYSA-N
XLogP0.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 2-methyl-3-azabicyclo[3.1.0]hexane (CID 11550004) is 2-methyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-methyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 2-methyl-3-azabicyclo[3.1.0]hexane is CC1NCC2CC21.
What is the InChIKey of 2-methyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is XEPSTPRNUJNDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-4-6-2-5(6)3-7-4/h4-7H,2-3H2,1H3.
What are the key properties of 2-methyl-3-azabicyclo[3.1.0]hexane?
2-methyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 97.16 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 11550004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).