N-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide

C7H13N3 — CID 123147135

IUPACN-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide
SMILESC/C=N/C=C/N/C(C)=N/C
InChIInChI=1S/C7H13N3/c1-4-9-5-6-10-7(2)8-3/h4-6H,1-3H3,(H,8,10)/b6-5+,9-4+
InChIKeyXJZAELQDYLHSIJ-BZNITXMSSA-N
MW139.20 g/mol
LogP1.19
Rot. Bonds2

About N-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide

N-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide (PubChem CID 123147135) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide
PubChem CID123147135
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide
SMILESC/C=N/C=C/N/C(C)=N/C
InChIInChI=1S/C7H13N3/c1-4-9-5-6-10-7(2)8-3/h4-6H,1-3H3,(H,8,10)/b6-5+,9-4+
InChIKeyXJZAELQDYLHSIJ-BZNITXMSSA-N
XLogP1.19
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-1H-imidazol-1-ium
CID 19047642
1,2,3-trimethyl-1H-imidazole-1,3-diium
CID 20652611
N-ethenyl-N'-methylmethanimidamide
CID 53952707
1-methanidyl-2-methyl-1H-imidazol-1-ium
CID 57868272
N-methyl-2H-pyrazin-2-id-6-amine;tungsten;yttrium
CID 59343437
N-methyl-2H-pyrazin-2-id-6-amine;yttrium
CID 59343465
2-Methyl-1,4-dihydroimidazol-4-ide;yttrium
CID 59701338
2-Methyl-1,4-dihydroimidazol-4-ide;vanadium
CID 59797181
1-ethenyl-2-methyl-1H-imidazol-1-ium chloride
CID 66874945

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide?
The IUPAC name of N-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide (CID 123147135) is N-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide.
What is the SMILES notation for N-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide?
The canonical SMILES for N-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide is C/C=N/C=C/N/C(C)=N/C.
What is the InChIKey of N-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide?
The InChIKey is XJZAELQDYLHSIJ-BZNITXMSSA-N. The full InChI is InChI=1S/C7H13N3/c1-4-9-5-6-10-7(2)8-3/h4-6H,1-3H3,(H,8,10)/b6-5+,9-4+.
What are the key properties of N-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide?
N-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide has a molecular weight of 139.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(ethylideneamino)ethenyl]-N'-methylethanimidamide is sourced from PubChem (CID 123147135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).