azane;methanimine;dihydrochloride

CH14Cl2N4 — CID 141212094

IUPACazane;methanimine;dihydrochloride
SMILESCl.Cl.N.N.N.[H]N=C
InChIInChI=1S/CH3N.2ClH.3H3N/c1-2;;;;;/h2H,1H2;2*1H;3*1H3
InChIKeyQQHZEMHLYVIYOL-UHFFFAOYSA-N
MW153.06 g/mol
LogP1.60
Rot. Bonds

About azane;methanimine;dihydrochloride

azane;methanimine;dihydrochloride (PubChem CID 141212094) has the molecular formula CH14Cl2N4 and a molecular weight of 153.06 g/mol. Its IUPAC name is azane;methanimine;dihydrochloride.

Molecular Properties

Compound Nameazane;methanimine;dihydrochloride
PubChem CID141212094
Molecular FormulaCH14Cl2N4
Molecular Weight153.06 g/mol
Exact Mass152.06
IUPAC Nameazane;methanimine;dihydrochloride
SMILESCl.Cl.N.N.N.[H]N=C
InChIInChI=1S/CH3N.2ClH.3H3N/c1-2;;;;;/h2H,1H2;2*1H;3*1H3
InChIKeyQQHZEMHLYVIYOL-UHFFFAOYSA-N
XLogP1.60
TPSA128.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.06
LogP ≤ 51.60
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 azane;methanimine;dihydrochloride?
The IUPAC name of azane;methanimine;dihydrochloride (CID 141212094) is azane;methanimine;dihydrochloride.
What is the SMILES notation for azane;methanimine;dihydrochloride?
The canonical SMILES for azane;methanimine;dihydrochloride is Cl.Cl.N.N.N.[H]N=C.
What is the InChIKey of azane;methanimine;dihydrochloride?
The InChIKey is QQHZEMHLYVIYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3N.2ClH.3H3N/c1-2;;;;;/h2H,1H2;2*1H;3*1H3.
What are the key properties of azane;methanimine;dihydrochloride?
azane;methanimine;dihydrochloride has a molecular weight of 153.06 g/mol, XLogP of 1.60, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methanimine;dihydrochloride is sourced from PubChem (CID 141212094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).