ethene;N-(2-methylprop-1-enyl)methanimine

C7H13N — CID 143303717

IUPACethene;N-(2-methylprop-1-enyl)methanimine
SMILESC=C.C=NC=C(C)C
InChIInChI=1S/C5H9N.C2H4/c1-5(2)4-6-3;1-2/h4H,3H2,1-2H3;1-2H2
InChIKeyBYDFIAPRUOYMSZ-UHFFFAOYSA-N
MW111.19 g/mol
LogP2.41
Rot. Bonds1

About ethene;N-(2-methylprop-1-enyl)methanimine

ethene;N-(2-methylprop-1-enyl)methanimine (PubChem CID 143303717) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is ethene;N-(2-methylprop-1-enyl)methanimine.

Molecular Properties

Compound Nameethene;N-(2-methylprop-1-enyl)methanimine
PubChem CID143303717
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Nameethene;N-(2-methylprop-1-enyl)methanimine
SMILESC=C.C=NC=C(C)C
InChIInChI=1S/C5H9N.C2H4/c1-5(2)4-6-3;1-2/h4H,3H2,1-2H3;1-2H2
InChIKeyBYDFIAPRUOYMSZ-UHFFFAOYSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.41
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 ethene;N-(2-methylprop-1-enyl)methanimine?
The IUPAC name of ethene;N-(2-methylprop-1-enyl)methanimine (CID 143303717) is ethene;N-(2-methylprop-1-enyl)methanimine.
What is the SMILES notation for ethene;N-(2-methylprop-1-enyl)methanimine?
The canonical SMILES for ethene;N-(2-methylprop-1-enyl)methanimine is C=C.C=NC=C(C)C.
What is the InChIKey of ethene;N-(2-methylprop-1-enyl)methanimine?
The InChIKey is BYDFIAPRUOYMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.C2H4/c1-5(2)4-6-3;1-2/h4H,3H2,1-2H3;1-2H2.
What are the key properties of ethene;N-(2-methylprop-1-enyl)methanimine?
ethene;N-(2-methylprop-1-enyl)methanimine has a molecular weight of 111.19 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;N-(2-methylprop-1-enyl)methanimine is sourced from PubChem (CID 143303717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).