1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride

C6H12ClN — CID 69121344

IUPAC1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCC12CNCC1C2.Cl
InChIInChI=1S/C6H11N.ClH/c1-6-2-5(6)3-7-4-6;/h5,7H,2-4H2,1H3;1H
InChIKeyXTWZARHPLKECFV-UHFFFAOYSA-N
MW133.62 g/mol
LogP1.04
Rot. Bonds

About 1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride

1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 69121344) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is 1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID69121344
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Name1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCC12CNCC1C2.Cl
InChIInChI=1S/C6H11N.ClH/c1-6-2-5(6)3-7-4-6;/h5,7H,2-4H2,1H3;1H
InChIKeyXTWZARHPLKECFV-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of 1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 69121344) is 1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for 1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for 1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride is CC12CNCC1C2.Cl.
What is the InChIKey of 1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is XTWZARHPLKECFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.ClH/c1-6-2-5(6)3-7-4-6;/h5,7H,2-4H2,1H3;1H.
What are the key properties of 1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride?
1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 133.62 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 69121344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).