methanimine;hydrochloride

C4H13ClN4 — CID 172805280

IUPACmethanimine;hydrochloride
SMILESCl.[H]N=C.[H]N=C.[H]N=C.[H]N=C
InChIInChI=1S/4CH3N.ClH/c4*1-2;/h4*2H,1H2;1H
InChIKeyRKPVFWKAJGAGMF-UHFFFAOYSA-N
MW152.63 g/mol
LogP1.48
Rot. Bonds

About methanimine;hydrochloride

methanimine;hydrochloride (PubChem CID 172805280) has the molecular formula C4H13ClN4 and a molecular weight of 152.63 g/mol. Its IUPAC name is methanimine;hydrochloride.

Molecular Properties

Compound Namemethanimine;hydrochloride
PubChem CID172805280
Molecular FormulaC4H13ClN4
Molecular Weight152.63 g/mol
Exact Mass152.08
IUPAC Namemethanimine;hydrochloride
SMILESCl.[H]N=C.[H]N=C.[H]N=C.[H]N=C
InChIInChI=1S/4CH3N.ClH/c4*1-2;/h4*2H,1H2;1H
InChIKeyRKPVFWKAJGAGMF-UHFFFAOYSA-N
XLogP1.48
TPSA95.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.63
LogP ≤ 51.48
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;hydrochloride?
The IUPAC name of methanimine;hydrochloride (CID 172805280) is methanimine;hydrochloride.
What is the SMILES notation for methanimine;hydrochloride?
The canonical SMILES for methanimine;hydrochloride is Cl.[H]N=C.[H]N=C.[H]N=C.[H]N=C.
What is the InChIKey of methanimine;hydrochloride?
The InChIKey is RKPVFWKAJGAGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/4CH3N.ClH/c4*1-2;/h4*2H,1H2;1H.
What are the key properties of methanimine;hydrochloride?
methanimine;hydrochloride has a molecular weight of 152.63 g/mol, XLogP of 1.48, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanimine;hydrochloride is sourced from PubChem (CID 172805280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).