3-methyl-2-azabicyclo[3.1.0]hexane

C6H11N — CID 21339024

IUPAC3-methyl-2-azabicyclo[3.1.0]hexane
SMILESCC1CC2CC2N1
InChIInChI=1S/C6H11N/c1-4-2-5-3-6(5)7-4/h4-7H,2-3H2,1H3
InChIKeyKLCHDRYIMMAADS-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.76
Rot. Bonds

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

3-methyl-2-azabicyclo[3.1.0]hexane (PubChem CID 21339024) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 3-methyl-2-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-methyl-2-azabicyclo[3.1.0]hexane
PubChem CID21339024
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name3-methyl-2-azabicyclo[3.1.0]hexane
SMILESCC1CC2CC2N1
InChIInChI=1S/C6H11N/c1-4-2-5-3-6(5)7-4/h4-7H,2-3H2,1H3
InChIKeyKLCHDRYIMMAADS-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-methyl-2-azabicyclo[3.1.0]hexane (CID 21339024) is 3-methyl-2-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-methyl-2-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-methyl-2-azabicyclo[3.1.0]hexane is CC1CC2CC2N1.
What is the InChIKey of 3-methyl-2-azabicyclo[3.1.0]hexane?
The InChIKey is KLCHDRYIMMAADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-4-2-5-3-6(5)7-4/h4-7H,2-3H2,1H3.
What are the key properties of 3-methyl-2-azabicyclo[3.1.0]hexane?
3-methyl-2-azabicyclo[3.1.0]hexane has a molecular weight of 97.16 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 21339024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).