N-ethyl-N'-methylprop-2-enimidamide

C6H12N2 — CID 123893292

IUPACN-ethyl-N'-methylprop-2-enimidamide
SMILESC=C/C(=N\C)NCC
InChIInChI=1S/C6H12N2/c1-4-6(7-3)8-5-2/h4H,1,5H2,2-3H3,(H,7,8)
InChIKeyADNJRYVLLDRPBD-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.81
Rot. Bonds2

About N-ethyl-N'-methylprop-2-enimidamide

N-ethyl-N'-methylprop-2-enimidamide (PubChem CID 123893292) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N-ethyl-N'-methylprop-2-enimidamide.

Molecular Properties

Compound NameN-ethyl-N'-methylprop-2-enimidamide
PubChem CID123893292
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN-ethyl-N'-methylprop-2-enimidamide
SMILESC=C/C(=N\C)NCC
InChIInChI=1S/C6H12N2/c1-4-6(7-3)8-5-2/h4H,1,5H2,2-3H3,(H,7,8)
InChIKeyADNJRYVLLDRPBD-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
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

2-Vinyl-2-imidazoline
CID 82736
(E)-N-ethyl-2-fluoro-N'-methylbut-2-enimidamide
CID 156329879
(1E)-N,N'-Di(propan-2-yl)prop-2-enimidamide
CID 330685
2-Vinyl-4,4-diamino-1,3,5-triazine
CID 132426842
N-ethyl-N'-(2-fluoroprop-2-enyl)ethanimidamide
CID 143612587
(E)-N,N'-di(propan-2-yl)but-2-enimidamide
CID 21721177
N,N'-bis(prop-2-enyl)ethanimidamide
CID 11629618
N'-methyl-N-prop-2-enylethanimidamide
CID 12683067
2-[(E)-prop-1-enyl]-4,5-dihydro-1H-imidazole
CID 15778570
2-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride
CID 18997726
2-ethenyl-3-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 20189699
2-ethenyl-5-methyl-4,5-dihydro-1H-imidazole
CID 20244290

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methylprop-2-enimidamide?
The IUPAC name of N-ethyl-N'-methylprop-2-enimidamide (CID 123893292) is N-ethyl-N'-methylprop-2-enimidamide.
What is the SMILES notation for N-ethyl-N'-methylprop-2-enimidamide?
The canonical SMILES for N-ethyl-N'-methylprop-2-enimidamide is C=C/C(=N\C)NCC.
What is the InChIKey of N-ethyl-N'-methylprop-2-enimidamide?
The InChIKey is ADNJRYVLLDRPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-6(7-3)8-5-2/h4H,1,5H2,2-3H3,(H,7,8).
What are the key properties of N-ethyl-N'-methylprop-2-enimidamide?
N-ethyl-N'-methylprop-2-enimidamide has a molecular weight of 112.18 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methylprop-2-enimidamide is sourced from PubChem (CID 123893292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).