N'-aminobut-2-enimidamide

C4H9N3 — CID 90891227

IUPACN'-aminobut-2-enimidamide
SMILESCC=CC(N)=NN
InChIInChI=1S/C4H9N3/c1-2-3-4(5)7-6/h2-3H,6H2,1H3,(H2,5,7)
InChIKeySLJUQYCXESVSPH-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.21
Rot. Bonds1

About N'-aminobut-2-enimidamide

N'-aminobut-2-enimidamide (PubChem CID 90891227) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is N'-aminobut-2-enimidamide.

Molecular Properties

Compound NameN'-aminobut-2-enimidamide
PubChem CID90891227
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC NameN'-aminobut-2-enimidamide
SMILESCC=CC(N)=NN
InChIInChI=1S/C4H9N3/c1-2-3-4(5)7-6/h2-3H,6H2,1H3,(H2,5,7)
InChIKeySLJUQYCXESVSPH-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N'-aminobut-2-enimidamide?
The IUPAC name of N'-aminobut-2-enimidamide (CID 90891227) is N'-aminobut-2-enimidamide.
What is the SMILES notation for N'-aminobut-2-enimidamide?
The canonical SMILES for N'-aminobut-2-enimidamide is CC=CC(N)=NN.
What is the InChIKey of N'-aminobut-2-enimidamide?
The InChIKey is SLJUQYCXESVSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-2-3-4(5)7-6/h2-3H,6H2,1H3,(H2,5,7).
What are the key properties of N'-aminobut-2-enimidamide?
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 N'-aminobut-2-enimidamide is sourced from PubChem (CID 90891227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).