methanimine;dihydrochloride

C2H8Cl2N2 — CID 173152591

IUPACmethanimine;dihydrochloride
SMILESCl.Cl.[H]N=C.[H]N=C
InChIInChI=1S/2CH3N.2ClH/c2*1-2;;/h2*2H,1H2;2*1H
InChIKeyARGBAYGKWJNOBN-UHFFFAOYSA-N
MW131.01 g/mol
LogP1.38
Rot. Bonds

About methanimine;dihydrochloride

methanimine;dihydrochloride (PubChem CID 173152591) has the molecular formula C2H8Cl2N2 and a molecular weight of 131.01 g/mol. Its IUPAC name is methanimine;dihydrochloride.

Molecular Properties

Compound Namemethanimine;dihydrochloride
PubChem CID173152591
Molecular FormulaC2H8Cl2N2
Molecular Weight131.01 g/mol
Exact Mass130.01
IUPAC Namemethanimine;dihydrochloride
SMILESCl.Cl.[H]N=C.[H]N=C
InChIInChI=1S/2CH3N.2ClH/c2*1-2;;/h2*2H,1H2;2*1H
InChIKeyARGBAYGKWJNOBN-UHFFFAOYSA-N
XLogP1.38
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.01
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanimine;dihydrochloride?
The IUPAC name of methanimine;dihydrochloride (CID 173152591) is methanimine;dihydrochloride.
What is the SMILES notation for methanimine;dihydrochloride?
The canonical SMILES for methanimine;dihydrochloride is Cl.Cl.[H]N=C.[H]N=C.
What is the InChIKey of methanimine;dihydrochloride?
The InChIKey is ARGBAYGKWJNOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH3N.2ClH/c2*1-2;;/h2*2H,1H2;2*1H.
What are the key properties of methanimine;dihydrochloride?
methanimine;dihydrochloride has a molecular weight of 131.01 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanimine;dihydrochloride is sourced from PubChem (CID 173152591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).