1-methyl-2-azabicyclo[2.1.1]hexane;hydrochloride

C6H12ClN — CID 55300816

IUPAC1-methyl-2-azabicyclo[2.1.1]hexane;hydrochloride
SMILESCC12CC(CN1)C2.Cl
InChIInChI=1S/C6H11N.ClH/c1-6-2-5(3-6)4-7-6;/h5,7H,2-4H2,1H3;1H
InChIKeyQFVYZBYHXGOEHA-UHFFFAOYSA-N
MW133.62 g/mol
LogP1.18
Rot. Bonds

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

1-methyl-2-azabicyclo[2.1.1]hexane;hydrochloride (PubChem CID 55300816) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is 1-methyl-2-azabicyclo[2.1.1]hexane;hydrochloride.

Molecular Properties

Compound Name1-methyl-2-azabicyclo[2.1.1]hexane;hydrochloride
PubChem CID55300816
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Name1-methyl-2-azabicyclo[2.1.1]hexane;hydrochloride
SMILESCC12CC(CN1)C2.Cl
InChIInChI=1S/C6H11N.ClH/c1-6-2-5(3-6)4-7-6;/h5,7H,2-4H2,1H3;1H
InChIKeyQFVYZBYHXGOEHA-UHFFFAOYSA-N
XLogP1.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.62
LogP ≤ 51.18
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;hydrochloride?
The IUPAC name of 1-methyl-2-azabicyclo[2.1.1]hexane;hydrochloride (CID 55300816) is 1-methyl-2-azabicyclo[2.1.1]hexane;hydrochloride.
What is the SMILES notation for 1-methyl-2-azabicyclo[2.1.1]hexane;hydrochloride?
The canonical SMILES for 1-methyl-2-azabicyclo[2.1.1]hexane;hydrochloride is CC12CC(CN1)C2.Cl.
What is the InChIKey of 1-methyl-2-azabicyclo[2.1.1]hexane;hydrochloride?
The InChIKey is QFVYZBYHXGOEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.ClH/c1-6-2-5(3-6)4-7-6;/h5,7H,2-4H2,1H3;1H.
What are the key properties of 1-methyl-2-azabicyclo[2.1.1]hexane;hydrochloride?
1-methyl-2-azabicyclo[2.1.1]hexane;hydrochloride has a molecular weight of 133.62 g/mol, XLogP of 1.18, 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;hydrochloride is sourced from PubChem (CID 55300816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).