(Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide

C7H13N3 — CID 89341002

IUPAC(Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide
SMILESC=C/N=C(N)/C=C\CNC
InChIInChI=1S/C7H13N3/c1-3-10-7(8)5-4-6-9-2/h3-5,9H,1,6H2,2H3,(H2,8,10)/b5-4-
InChIKeyOMBCFOCQIOWKFL-PLNGDYQASA-N
MW139.20 g/mol
LogP0.26
Rot. Bonds4

About (Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide

(Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide (PubChem CID 89341002) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide
PubChem CID89341002
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide
SMILESC=C/N=C(N)/C=C\CNC
InChIInChI=1S/C7H13N3/c1-3-10-7(8)5-4-6-9-2/h3-5,9H,1,6H2,2H3,(H2,8,10)/b5-4-
InChIKeyOMBCFOCQIOWKFL-PLNGDYQASA-N
XLogP0.26
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.26
H-Bond Donors ≤ 52
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-Dihydro-4-pyrimidinamine
CID 135398678
(E)-N-ethenyl-2-fluoro-N'-methylbut-2-enimidamide
CID 130343374
(E)-N'-ethenyl-3-fluorobut-2-enimidamide
CID 142337031
2-Methyl-1,4-dihydropyrimidine
CID 13432429
carbanide;N-methyl-2H-pyrimidin-2-id-4-amine;vanadium(2+)
CID 20644795
N'-ethenylprop-2-enimidamide
CID 23073048
2-Methyl-1H-1,3-diazepine
CID 56992381
2-ethenyl-1H-1,3-diazepine
CID 56992451
(Z)-N,N'-dimethylbut-2-enimidamide
CID 58400962
2-Ethyl-1,4-dihydropyrimidine
CID 69423963
N,N'-dimethylbut-2-enimidamide
CID 73829471
3-deuterio-2-ethenyl-4H-pyrimidine
CID 87130852

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide?
The IUPAC name of (Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide (CID 89341002) is (Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide.
What is the SMILES notation for (Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide?
The canonical SMILES for (Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide is C=C/N=C(N)/C=C\CNC.
What is the InChIKey of (Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide?
The InChIKey is OMBCFOCQIOWKFL-PLNGDYQASA-N. The full InChI is InChI=1S/C7H13N3/c1-3-10-7(8)5-4-6-9-2/h3-5,9H,1,6H2,2H3,(H2,8,10)/b5-4-.
What are the key properties of (Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide?
(Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-ethenyl-4-(methylamino)but-2-enimidamide is sourced from PubChem (CID 89341002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).