3-azabicyclo[3.1.0]hexane;dihydrochloride

C5H11Cl2N — CID 140512684

IUPAC3-azabicyclo[3.1.0]hexane;dihydrochloride
SMILESC1NCC2CC12.Cl.Cl
InChIInChI=1S/C5H9N.2ClH/c1-4-2-6-3-5(1)4;;/h4-6H,1-3H2;2*1H
InChIKeyYAFBMARNAJPROD-UHFFFAOYSA-N
MW156.06 g/mol
LogP1.07
Rot. Bonds

About 3-azabicyclo[3.1.0]hexane;dihydrochloride

3-azabicyclo[3.1.0]hexane;dihydrochloride (PubChem CID 140512684) has the molecular formula C5H11Cl2N and a molecular weight of 156.06 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexane;dihydrochloride.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexane;dihydrochloride
PubChem CID140512684
Molecular FormulaC5H11Cl2N
Molecular Weight156.06 g/mol
Exact Mass155.03
IUPAC Name3-azabicyclo[3.1.0]hexane;dihydrochloride
SMILESC1NCC2CC12.Cl.Cl
InChIInChI=1S/C5H9N.2ClH/c1-4-2-6-3-5(1)4;;/h4-6H,1-3H2;2*1H
InChIKeyYAFBMARNAJPROD-UHFFFAOYSA-N
XLogP1.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.06
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexane;dihydrochloride?
The IUPAC name of 3-azabicyclo[3.1.0]hexane;dihydrochloride (CID 140512684) is 3-azabicyclo[3.1.0]hexane;dihydrochloride.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexane;dihydrochloride?
The canonical SMILES for 3-azabicyclo[3.1.0]hexane;dihydrochloride is C1NCC2CC12.Cl.Cl.
What is the InChIKey of 3-azabicyclo[3.1.0]hexane;dihydrochloride?
The InChIKey is YAFBMARNAJPROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.2ClH/c1-4-2-6-3-5(1)4;;/h4-6H,1-3H2;2*1H.
What are the key properties of 3-azabicyclo[3.1.0]hexane;dihydrochloride?
3-azabicyclo[3.1.0]hexane;dihydrochloride has a molecular weight of 156.06 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexane;dihydrochloride is sourced from PubChem (CID 140512684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).