N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide

C8H14N4 — CID 143245763

IUPACN'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide
SMILES[H]/N=C/C(C)=C(N=CC)/N=C(/C)N
InChIInChI=1S/C8H14N4/c1-4-11-8(6(2)5-9)12-7(3)10/h4-5,9H,1-3H3,(H2,10,12)/b8-6+,9-5+,11-4?
InChIKeyVZGPHBKHQCIXOZ-ONLRIVSVSA-N
MW166.23 g/mol
LogP1.34
Rot. Bonds3

About N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide

N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide (PubChem CID 143245763) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide
PubChem CID143245763
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide
SMILES[H]/N=C/C(C)=C(N=CC)/N=C(/C)N
InChIInChI=1S/C8H14N4/c1-4-11-8(6(2)5-9)12-7(3)10/h4-5,9H,1-3H3,(H2,10,12)/b8-6+,9-5+,11-4?
InChIKeyVZGPHBKHQCIXOZ-ONLRIVSVSA-N
XLogP1.34
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(E)-1-N-ethenyl-1-(ethylideneamino)-3-iminoprop-1-ene-1,2-diamine
CID 176548203
(Z)-4-imino-2,3-dimethylbut-2-enamide
CID 142465244
N'-carbamimidoylethanimidamide
CID 20603119
2-N-[(Z)-but-2-en-2-yl]propane-1,2-diimine;ethane
CID 143774568
3-N-ethylidenebut-2-ene-1,3-diimine
CID 91606958
(Z)-2-carbamimidoyl-4-imino-3-methylbut-2-enamide
CID 142449520
(Z)-5-imino-3,4-dimethylpent-3-en-1-amine
CID 171523235
(Z)-5-imino-3,4-dimethylpent-3-en-2-one
CID 145478376
3-[amino-(ethylideneamino)methylidene]-1,1-dimethylguanidine
CID 161367334
(Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine
CID 142933408
(2E)-1-imino-5-methylhexa-2,4-dien-2-amine
CID 134240069
N-(1-iminopropan-2-ylidene)hydroxylamine
CID 140984179

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide?
The IUPAC name of N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide (CID 143245763) is N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide.
What is the SMILES notation for N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide?
The canonical SMILES for N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide is [H]/N=C/C(C)=C(N=CC)/N=C(/C)N.
What is the InChIKey of N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide?
The InChIKey is VZGPHBKHQCIXOZ-ONLRIVSVSA-N. The full InChI is InChI=1S/C8H14N4/c1-4-11-8(6(2)5-9)12-7(3)10/h4-5,9H,1-3H3,(H2,10,12)/b8-6+,9-5+,11-4?.
What are the key properties of N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide?
N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide has a molecular weight of 166.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(ethylideneamino)-3-imino-2-methylprop-1-enyl]ethanimidamide is sourced from PubChem (CID 143245763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).