4-methyl-2-azabicyclo[2.1.1]hexane

C6H11N — CID 105426929

IUPAC4-methyl-2-azabicyclo[2.1.1]hexane
SMILESCC12CNC(C1)C2
InChIInChI=1S/C6H11N/c1-6-2-5(3-6)7-4-6/h5,7H,2-4H2,1H3
InChIKeyLOWVAFXDECIOMV-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.76
Rot. Bonds

About 4-methyl-2-azabicyclo[2.1.1]hexane

4-methyl-2-azabicyclo[2.1.1]hexane (PubChem CID 105426929) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 4-methyl-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name4-methyl-2-azabicyclo[2.1.1]hexane
PubChem CID105426929
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name4-methyl-2-azabicyclo[2.1.1]hexane
SMILESCC12CNC(C1)C2
InChIInChI=1S/C6H11N/c1-6-2-5(3-6)7-4-6/h5,7H,2-4H2,1H3
InChIKeyLOWVAFXDECIOMV-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 4-methyl-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 4-methyl-2-azabicyclo[2.1.1]hexane (CID 105426929) is 4-methyl-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 4-methyl-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 4-methyl-2-azabicyclo[2.1.1]hexane is CC12CNC(C1)C2.
What is the InChIKey of 4-methyl-2-azabicyclo[2.1.1]hexane?
The InChIKey is LOWVAFXDECIOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6-2-5(3-6)7-4-6/h5,7H,2-4H2,1H3.
What are the key properties of 4-methyl-2-azabicyclo[2.1.1]hexane?
4-methyl-2-azabicyclo[2.1.1]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 4-methyl-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 105426929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).