(E)-N'-aminobut-2-enimidamide

C4H9N3 — CID 142083872

IUPAC(E)-N'-aminobut-2-enimidamide
SMILESC/C=C/C(N)=N/N
InChIInChI=1S/C4H9N3/c1-2-3-4(5)7-6/h2-3H,6H2,1H3,(H2,5,7)/b3-2+
InChIKeySLJUQYCXESVSPH-NSCUHMNNSA-N
MW99.14 g/mol
LogP-0.21
Rot. Bonds1

About (E)-N'-aminobut-2-enimidamide

(E)-N'-aminobut-2-enimidamide (PubChem CID 142083872) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is (E)-N'-aminobut-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-aminobut-2-enimidamide
PubChem CID142083872
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name(E)-N'-aminobut-2-enimidamide
SMILESC/C=C/C(N)=N/N
InChIInChI=1S/C4H9N3/c1-2-3-4(5)7-6/h2-3H,6H2,1H3,(H2,5,7)/b3-2+
InChIKeySLJUQYCXESVSPH-NSCUHMNNSA-N
XLogP-0.21
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-but-2-enimidamide
CID 21675747
But-2-enimidamide
CID 53713293
(2Z)-N'-aminopenta-2,4-dienimidamide
CID 89070380
N'-aminobut-2-enimidamide
CID 90891227
(Z)-but-2-enimidamide
CID 91333762
(2Z,4Z)-hexa-2,4-dienimidamide
CID 122525287
(2E,4E)-hexa-2,4-dienimidamide
CID 123787414
(Z)-1-N',4-N'-diaminobut-2-enediimidamide
CID 139997466
(Z)-but-2-enimidamide;ethane
CID 145445334
1-(Aminodiazenyl)but-2-enylideneazanium
CID 149462081
N'-amino-3-methylbut-2-enimidamide
CID 153043985
(4-Amino-4-azanidylidenebut-2-enylidene)tungsten;propane
CID 158073296

Frequently Asked Questions

What is the IUPAC name of (E)-N'-aminobut-2-enimidamide?
The IUPAC name of (E)-N'-aminobut-2-enimidamide (CID 142083872) is (E)-N'-aminobut-2-enimidamide.
What is the SMILES notation for (E)-N'-aminobut-2-enimidamide?
The canonical SMILES for (E)-N'-aminobut-2-enimidamide is C/C=C/C(N)=N/N.
What is the InChIKey of (E)-N'-aminobut-2-enimidamide?
The InChIKey is SLJUQYCXESVSPH-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H9N3/c1-2-3-4(5)7-6/h2-3H,6H2,1H3,(H2,5,7)/b3-2+.
What are the key properties of (E)-N'-aminobut-2-enimidamide?
(E)-N'-aminobut-2-enimidamide has a molecular weight of 99.14 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-aminobut-2-enimidamide is sourced from PubChem (CID 142083872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).