(Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide

C8H16N4 — CID 87946086

IUPAC(Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide
SMILESC=C(N)NC(/C=C(/C)N)=N\CC
InChIInChI=1S/C8H16N4/c1-4-11-8(5-6(2)9)12-7(3)10/h5H,3-4,9-10H2,1-2H3,(H,11,12)/b6-5-
InChIKeySDLGZOOGSMSAFC-WAYWQWQTSA-N
MW168.24 g/mol
LogP0.29
Rot. Bonds3

About (Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide

(Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide (PubChem CID 87946086) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is (Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide
PubChem CID87946086
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name(Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide
SMILESC=C(N)NC(/C=C(/C)N)=N\CC
InChIInChI=1S/C8H16N4/c1-4-11-8(5-6(2)9)12-7(3)10/h5H,3-4,9-10H2,1-2H3,(H,11,12)/b6-5-
InChIKeySDLGZOOGSMSAFC-WAYWQWQTSA-N
XLogP0.29
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.29
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide?
The IUPAC name of (Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide (CID 87946086) is (Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide is C=C(N)NC(/C=C(/C)N)=N\CC.
What is the InChIKey of (Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide?
The InChIKey is SDLGZOOGSMSAFC-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-11-8(5-6(2)9)12-7(3)10/h5H,3-4,9-10H2,1-2H3,(H,11,12)/b6-5-.
What are the key properties of (Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide?
(Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide has a molecular weight of 168.24 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-(1-aminoethenyl)-N'-ethylbut-2-enimidamide is sourced from PubChem (CID 87946086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).