1-methyl-2-azabicyclo[2.1.1]hexane

C6H11N — CID 11788264

IUPAC1-methyl-2-azabicyclo[2.1.1]hexane
SMILESCC12CC(CN1)C2
InChIInChI=1S/C6H11N/c1-6-2-5(3-6)4-7-6/h5,7H,2-4H2,1H3
InChIKeyMXWAUZMHERJQJE-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.76
Rot. Bonds

About 1-methyl-2-azabicyclo[2.1.1]hexane

1-methyl-2-azabicyclo[2.1.1]hexane (PubChem CID 11788264) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1-methyl-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name1-methyl-2-azabicyclo[2.1.1]hexane
PubChem CID11788264
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1-methyl-2-azabicyclo[2.1.1]hexane
SMILESCC12CC(CN1)C2
InChIInChI=1S/C6H11N/c1-6-2-5(3-6)4-7-6/h5,7H,2-4H2,1H3
InChIKeyMXWAUZMHERJQJE-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 1-methyl-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 1-methyl-2-azabicyclo[2.1.1]hexane (CID 11788264) is 1-methyl-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 1-methyl-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 1-methyl-2-azabicyclo[2.1.1]hexane is CC12CC(CN1)C2.
What is the InChIKey of 1-methyl-2-azabicyclo[2.1.1]hexane?
The InChIKey is MXWAUZMHERJQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6-2-5(3-6)4-7-6/h5,7H,2-4H2,1H3.
What are the key properties of 1-methyl-2-azabicyclo[2.1.1]hexane?
1-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 1-methyl-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 11788264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).