ethane;N'-ethenyl-N-methylideneethanimidamide

C7H14N2 — CID 142068864

IUPACethane;N'-ethenyl-N-methylideneethanimidamide
SMILESC=C/N=C(\C)N=C.CC
InChIInChI=1S/C5H8N2.C2H6/c1-4-7-5(2)6-3;1-2/h4H,1,3H2,2H3;1-2H3/b7-5+;
InChIKeyFXWLRDCSHDTYBJ-GZOLSCHFSA-N
MW126.20 g/mol
LogP2.28
Rot. Bonds1

About ethane;N'-ethenyl-N-methylideneethanimidamide

ethane;N'-ethenyl-N-methylideneethanimidamide (PubChem CID 142068864) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is ethane;N'-ethenyl-N-methylideneethanimidamide.

Molecular Properties

Compound Nameethane;N'-ethenyl-N-methylideneethanimidamide
PubChem CID142068864
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Nameethane;N'-ethenyl-N-methylideneethanimidamide
SMILESC=C/N=C(\C)N=C.CC
InChIInChI=1S/C5H8N2.C2H6/c1-4-7-5(2)6-3;1-2/h4H,1,3H2,2H3;1-2H3/b7-5+;
InChIKeyFXWLRDCSHDTYBJ-GZOLSCHFSA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,1,2-Trimethylimidazol-1-ium
CID 21650257
N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 88586058
N'-(ethenyliminomethyl)ethanimidamide
CID 88888742
N'-ethenyl-N-propan-2-ylideneethanimidamide
CID 88999116
N'-[(Z)-2-(methylideneamino)ethenyl]ethanimidamide
CID 89029563
N-ethenyl-N,N'-dimethylethanimidamide
CID 89289021
N'-[(E)-2-bromoethenyl]-N-methylideneethanimidamide
CID 89335520
2-ethenylimino-N'-ethylethanimidamide
CID 90250548
N'-ethenyl-N-ethylideneethanimidamide
CID 117650339
1-ethenyl-N-methylpyrazin-2-imine
CID 123177521
N-(2-ethenyliminoethylidene)ethanimidamide
CID 123236638
N'-ethenylethanimidamide
CID 123655626

Frequently Asked Questions

What is the IUPAC name of ethane;N'-ethenyl-N-methylideneethanimidamide?
The IUPAC name of ethane;N'-ethenyl-N-methylideneethanimidamide (CID 142068864) is ethane;N'-ethenyl-N-methylideneethanimidamide.
What is the SMILES notation for ethane;N'-ethenyl-N-methylideneethanimidamide?
The canonical SMILES for ethane;N'-ethenyl-N-methylideneethanimidamide is C=C/N=C(\C)N=C.CC.
What is the InChIKey of ethane;N'-ethenyl-N-methylideneethanimidamide?
The InChIKey is FXWLRDCSHDTYBJ-GZOLSCHFSA-N. The full InChI is InChI=1S/C5H8N2.C2H6/c1-4-7-5(2)6-3;1-2/h4H,1,3H2,2H3;1-2H3/b7-5+;.
What are the key properties of ethane;N'-ethenyl-N-methylideneethanimidamide?
ethane;N'-ethenyl-N-methylideneethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-ethenyl-N-methylideneethanimidamide is sourced from PubChem (CID 142068864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).