methanimine;2-methylprop-2-en-1-imine

C5H10N2 — CID 145055297

IUPACmethanimine;2-methylprop-2-en-1-imine
SMILES[H]/N=C/C(=C)C.[H]N=C
InChIInChI=1S/C4H7N.CH3N/c1-4(2)3-5;1-2/h3,5H,1H2,2H3;2H,1H2/b5-3+;
InChIKeyMRMNIKVYHOQDHZ-WGCWOXMQSA-N
MW98.15 g/mol
LogP1.48
Rot. Bonds1

About methanimine;2-methylprop-2-en-1-imine

methanimine;2-methylprop-2-en-1-imine (PubChem CID 145055297) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is methanimine;2-methylprop-2-en-1-imine.

Molecular Properties

Compound Namemethanimine;2-methylprop-2-en-1-imine
PubChem CID145055297
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Namemethanimine;2-methylprop-2-en-1-imine
SMILES[H]/N=C/C(=C)C.[H]N=C
InChIInChI=1S/C4H7N.CH3N/c1-4(2)3-5;1-2/h3,5H,1H2,2H3;2H,1H2/b5-3+;
InChIKeyMRMNIKVYHOQDHZ-WGCWOXMQSA-N
XLogP1.48
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.48
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;2-methylprop-2-en-1-imine?
The IUPAC name of methanimine;2-methylprop-2-en-1-imine (CID 145055297) is methanimine;2-methylprop-2-en-1-imine.
What is the SMILES notation for methanimine;2-methylprop-2-en-1-imine?
The canonical SMILES for methanimine;2-methylprop-2-en-1-imine is [H]/N=C/C(=C)C.[H]N=C.
What is the InChIKey of methanimine;2-methylprop-2-en-1-imine?
The InChIKey is MRMNIKVYHOQDHZ-WGCWOXMQSA-N. The full InChI is InChI=1S/C4H7N.CH3N/c1-4(2)3-5;1-2/h3,5H,1H2,2H3;2H,1H2/b5-3+;.
What are the key properties of methanimine;2-methylprop-2-en-1-imine?
methanimine;2-methylprop-2-en-1-imine has a molecular weight of 98.15 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanimine;2-methylprop-2-en-1-imine is sourced from PubChem (CID 145055297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).