2-amino-N'-methylprop-2-enimidamide

C4H9N3 — CID 142142283

IUPAC2-amino-N'-methylprop-2-enimidamide
SMILESC=C(N)/C(N)=N/C
InChIInChI=1S/C4H9N3/c1-3(5)4(6)7-2/h1,5H2,2H3,(H2,6,7)
InChIKeyDDJDIMNJYMQZAS-UHFFFAOYSA-N
MW99.14 g/mol
LogP-0.55
Rot. Bonds1

About 2-amino-N'-methylprop-2-enimidamide

2-amino-N'-methylprop-2-enimidamide (PubChem CID 142142283) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 2-amino-N'-methylprop-2-enimidamide.

Molecular Properties

Compound Name2-amino-N'-methylprop-2-enimidamide
PubChem CID142142283
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name2-amino-N'-methylprop-2-enimidamide
SMILESC=C(N)/C(N)=N/C
InChIInChI=1S/C4H9N3/c1-3(5)4(6)7-2/h1,5H2,2H3,(H2,6,7)
InChIKeyDDJDIMNJYMQZAS-UHFFFAOYSA-N
XLogP-0.55
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 ≤ 5-0.55
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-methylprop-2-enimidamide?
The IUPAC name of 2-amino-N'-methylprop-2-enimidamide (CID 142142283) is 2-amino-N'-methylprop-2-enimidamide.
What is the SMILES notation for 2-amino-N'-methylprop-2-enimidamide?
The canonical SMILES for 2-amino-N'-methylprop-2-enimidamide is C=C(N)/C(N)=N/C.
What is the InChIKey of 2-amino-N'-methylprop-2-enimidamide?
The InChIKey is DDJDIMNJYMQZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3/c1-3(5)4(6)7-2/h1,5H2,2H3,(H2,6,7).
What are the key properties of 2-amino-N'-methylprop-2-enimidamide?
2-amino-N'-methylprop-2-enimidamide has a molecular weight of 99.14 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-methylprop-2-enimidamide is sourced from PubChem (CID 142142283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).