(E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide

C7H14N4 — CID 137379760

IUPAC(E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide
SMILESC=C(N)/N=C(N)\C(C)=C(/C)N
InChIInChI=1S/C7H14N4/c1-4(5(2)8)7(10)11-6(3)9/h3,8-9H2,1-2H3,(H2,10,11)/b5-4+
InChIKeyKMMFFGZGDRRJHB-SNAWJCMRSA-N
MW154.22 g/mol
LogP0.03
Rot. Bonds2

About (E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide

(E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide (PubChem CID 137379760) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is (E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide.

Molecular Properties

Compound Name(E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide
PubChem CID137379760
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name(E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide
SMILESC=C(N)/N=C(N)\C(C)=C(/C)N
InChIInChI=1S/C7H14N4/c1-4(5(2)8)7(10)11-6(3)9/h3,8-9H2,1-2H3,(H2,10,11)/b5-4+
InChIKeyKMMFFGZGDRRJHB-SNAWJCMRSA-N
XLogP0.03
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.03
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 (E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide?
The IUPAC name of (E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide (CID 137379760) is (E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide.
What is the SMILES notation for (E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide?
The canonical SMILES for (E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide is C=C(N)/N=C(N)\C(C)=C(/C)N.
What is the InChIKey of (E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide?
The InChIKey is KMMFFGZGDRRJHB-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H14N4/c1-4(5(2)8)7(10)11-6(3)9/h3,8-9H2,1-2H3,(H2,10,11)/b5-4+.
What are the key properties of (E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide?
(E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide has a molecular weight of 154.22 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-N'-(1-aminoethenyl)-2-methylbut-2-enimidamide is sourced from PubChem (CID 137379760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).