methanimine;dihydrochloride

C4H14Cl2N4 — CID 172678278

IUPACmethanimine;dihydrochloride
SMILESCl.Cl.[H]N=C.[H]N=C.[H]N=C.[H]N=C
InChIInChI=1S/4CH3N.2ClH/c4*1-2;;/h4*2H,1H2;2*1H
InChIKeyAARAMQPQNNRZQN-UHFFFAOYSA-N
MW189.09 g/mol
LogP1.91
Rot. Bonds

About methanimine;dihydrochloride

methanimine;dihydrochloride (PubChem CID 172678278) has the molecular formula C4H14Cl2N4 and a molecular weight of 189.09 g/mol. Its IUPAC name is methanimine;dihydrochloride.

Molecular Properties

Compound Namemethanimine;dihydrochloride
PubChem CID172678278
Molecular FormulaC4H14Cl2N4
Molecular Weight189.09 g/mol
Exact Mass188.06
IUPAC Namemethanimine;dihydrochloride
SMILESCl.Cl.[H]N=C.[H]N=C.[H]N=C.[H]N=C
InChIInChI=1S/4CH3N.2ClH/c4*1-2;;/h4*2H,1H2;2*1H
InChIKeyAARAMQPQNNRZQN-UHFFFAOYSA-N
XLogP1.91
TPSA95.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.09
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 172678278) 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.[H]N=C.[H]N=C.
What is the InChIKey of methanimine;dihydrochloride?
The InChIKey is AARAMQPQNNRZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/4CH3N.2ClH/c4*1-2;;/h4*2H,1H2;2*1H.
What are the key properties of methanimine;dihydrochloride?
methanimine;dihydrochloride has a molecular weight of 189.09 g/mol, XLogP of 1.91, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanimine;dihydrochloride is sourced from PubChem (CID 172678278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).