N-ethenyl-N'-ethylethanimidamide

C6H12N2 — CID 87281065

IUPACN-ethenyl-N'-ethylethanimidamide
SMILESC=CN/C(C)=N/CC
InChIInChI=1S/C6H12N2/c1-4-7-6(3)8-5-2/h4H,1,5H2,2-3H3,(H,7,8)
InChIKeyURAHARQKLFZDQX-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.16
Rot. Bonds2

About N-ethenyl-N'-ethylethanimidamide

N-ethenyl-N'-ethylethanimidamide (PubChem CID 87281065) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-ethenyl-N'-ethylethanimidamide.

Molecular Properties

Compound NameN-ethenyl-N'-ethylethanimidamide
PubChem CID87281065
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-ethenyl-N'-ethylethanimidamide
SMILESC=CN/C(C)=N/CC
InChIInChI=1S/C6H12N2/c1-4-7-6(3)8-5-2/h4H,1,5H2,2-3H3,(H,7,8)
InChIKeyURAHARQKLFZDQX-UHFFFAOYSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
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

1,2-Dimethylimidazolium chloride
CID 66809752
N'-ethenyl-N-(1-fluoroethenyl)ethanimidamide
CID 88874201
N-ethenyl-N'-(2,2,2-trifluoroethyl)ethanimidamide
CID 88979778
2,2,2-trifluoro-N'-methyl-N-[(E)-2-(methylamino)ethenyl]ethanimidamide
CID 166888833
3-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 17821438
CID 134978707
CID 134978707
2-Methyl-1,4-dihydropyrimidine
CID 13432429
2-methyl-1H-imidazol-1-ium
CID 19047642
2-propan-2-yl-1H-imidazol-1-ium
CID 20276869
1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
N-ethenyl-N'-methylmethanimidamide
CID 53952707
2-Methyl-1H-1,3-diazepine
CID 56992381

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N'-ethylethanimidamide?
The IUPAC name of N-ethenyl-N'-ethylethanimidamide (CID 87281065) is N-ethenyl-N'-ethylethanimidamide.
What is the SMILES notation for N-ethenyl-N'-ethylethanimidamide?
The canonical SMILES for N-ethenyl-N'-ethylethanimidamide is C=CN/C(C)=N/CC.
What is the InChIKey of N-ethenyl-N'-ethylethanimidamide?
The InChIKey is URAHARQKLFZDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-7-6(3)8-5-2/h4H,1,5H2,2-3H3,(H,7,8).
What are the key properties of N-ethenyl-N'-ethylethanimidamide?
N-ethenyl-N'-ethylethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N'-ethylethanimidamide is sourced from PubChem (CID 87281065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).