[(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride

C6H14Cl2N2 — CID 170913126

IUPAC[(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride
SMILESCl.Cl.NC[C@]12C[C@H]1CCN2
InChIInChI=1S/C6H12N2.2ClH/c7-4-6-3-5(6)1-2-8-6;;/h5,8H,1-4,7H2;2*1H/t5-,6-;;/m1../s1
InChIKeyWMSOFJSIFYVGMP-BNTLRKBRSA-N
MW185.10 g/mol
LogP0.54
Rot. Bonds1

About [(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride

[(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride (PubChem CID 170913126) has the molecular formula C6H14Cl2N2 and a molecular weight of 185.10 g/mol. Its IUPAC name is [(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride
PubChem CID170913126
Molecular FormulaC6H14Cl2N2
Molecular Weight185.10 g/mol
Exact Mass184.05
IUPAC Name[(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride
SMILESCl.Cl.NC[C@]12C[C@H]1CCN2
InChIInChI=1S/C6H12N2.2ClH/c7-4-6-3-5(6)1-2-8-6;;/h5,8H,1-4,7H2;2*1H/t5-,6-;;/m1../s1
InChIKeyWMSOFJSIFYVGMP-BNTLRKBRSA-N
XLogP0.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride?
The IUPAC name of [(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride (CID 170913126) is [(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride.
What is the SMILES notation for [(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride?
The canonical SMILES for [(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride is Cl.Cl.NC[C@]12C[C@H]1CCN2.
What is the InChIKey of [(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride?
The InChIKey is WMSOFJSIFYVGMP-BNTLRKBRSA-N. The full InChI is InChI=1S/C6H12N2.2ClH/c7-4-6-3-5(6)1-2-8-6;;/h5,8H,1-4,7H2;2*1H/t5-,6-;;/m1../s1.
What are the key properties of [(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride?
[(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride has a molecular weight of 185.10 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride is sourced from PubChem (CID 170913126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).