N-(2-methylprop-2-enyl)methanimine;hydrochloride

C5H10ClN — CID 175317969

IUPACN-(2-methylprop-2-enyl)methanimine;hydrochloride
SMILESC=NCC(=C)C.Cl
InChIInChI=1S/C5H9N.ClH/c1-5(2)4-6-3;/h1,3-4H2,2H3;1H
InChIKeyWYKAIIZAMIXIPC-UHFFFAOYSA-N
MW119.59 g/mol
LogP1.68
Rot. Bonds2

About N-(2-methylprop-2-enyl)methanimine;hydrochloride

N-(2-methylprop-2-enyl)methanimine;hydrochloride (PubChem CID 175317969) has the molecular formula C5H10ClN and a molecular weight of 119.59 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)methanimine;hydrochloride.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)methanimine;hydrochloride
PubChem CID175317969
Molecular FormulaC5H10ClN
Molecular Weight119.59 g/mol
Exact Mass119.05
IUPAC NameN-(2-methylprop-2-enyl)methanimine;hydrochloride
SMILESC=NCC(=C)C.Cl
InChIInChI=1S/C5H9N.ClH/c1-5(2)4-6-3;/h1,3-4H2,2H3;1H
InChIKeyWYKAIIZAMIXIPC-UHFFFAOYSA-N
XLogP1.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.59
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)methanimine;hydrochloride?
The IUPAC name of N-(2-methylprop-2-enyl)methanimine;hydrochloride (CID 175317969) is N-(2-methylprop-2-enyl)methanimine;hydrochloride.
What is the SMILES notation for N-(2-methylprop-2-enyl)methanimine;hydrochloride?
The canonical SMILES for N-(2-methylprop-2-enyl)methanimine;hydrochloride is C=NCC(=C)C.Cl.
What is the InChIKey of N-(2-methylprop-2-enyl)methanimine;hydrochloride?
The InChIKey is WYKAIIZAMIXIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.ClH/c1-5(2)4-6-3;/h1,3-4H2,2H3;1H.
What are the key properties of N-(2-methylprop-2-enyl)methanimine;hydrochloride?
N-(2-methylprop-2-enyl)methanimine;hydrochloride has a molecular weight of 119.59 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)methanimine;hydrochloride is sourced from PubChem (CID 175317969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).