ethane;N-ethenylethanimine

C8H19N — CID 143336601

IUPACethane;N-ethenylethanimine
SMILESC=C/N=C/C.CC.CC
InChIInChI=1S/C4H7N.2C2H6/c1-3-5-4-2;2*1-2/h3-4H,1H2,2H3;2*1-2H3/b5-4+;;
InChIKeySSWBECDDTVVGSA-SFKRKKMESA-N
MW129.25 g/mol
LogP3.27
Rot. Bonds1

About ethane;N-ethenylethanimine

ethane;N-ethenylethanimine (PubChem CID 143336601) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is ethane;N-ethenylethanimine.

Molecular Properties

Compound Nameethane;N-ethenylethanimine
PubChem CID143336601
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Nameethane;N-ethenylethanimine
SMILESC=C/N=C/C.CC.CC
InChIInChI=1S/C4H7N.2C2H6/c1-3-5-4-2;2*1-2/h3-4H,1H2,2H3;2*1-2H3/b5-4+;;
InChIKeySSWBECDDTVVGSA-SFKRKKMESA-N
XLogP3.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E)-N-Ethenylethanimine
CID 13099158
N-ethenylpropan-1-imine
CID 13099159
1,4,7,10,13,16-Hexazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 85593305
N,N'-bis(ethenyl)ethane-1,2-diimine
CID 88267065
N-[(Z)-2-(ethylideneamino)ethenyl]ethanimine
CID 88583063
N'-ethenyl-N-methylethane-1,2-diimine
CID 91431711
N-[2-(ethylideneamino)ethenyl]ethanimine
CID 91519271
Ethenyl-ethylidene-methylazanium
CID 91573045
N-[(Z)-2-(ethylideneamino)ethenyl]butan-1-imine
CID 122667549
N-ethenyl-N-methyl-2-propyliminoethanamine
CID 123304907
(Z)-N-ethenyl-N'-[(Z)-ethylideneamino]ethane-1,2-diimine
CID 123860666
N-[(E)-2-(ethylideneamino)ethenyl]ethanimine
CID 123975258

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenylethanimine?
The IUPAC name of ethane;N-ethenylethanimine (CID 143336601) is ethane;N-ethenylethanimine.
What is the SMILES notation for ethane;N-ethenylethanimine?
The canonical SMILES for ethane;N-ethenylethanimine is C=C/N=C/C.CC.CC.
What is the InChIKey of ethane;N-ethenylethanimine?
The InChIKey is SSWBECDDTVVGSA-SFKRKKMESA-N. The full InChI is InChI=1S/C4H7N.2C2H6/c1-3-5-4-2;2*1-2/h3-4H,1H2,2H3;2*1-2H3/b5-4+;;.
What are the key properties of ethane;N-ethenylethanimine?
ethane;N-ethenylethanimine has a molecular weight of 129.25 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenylethanimine is sourced from PubChem (CID 143336601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).