(E)-2,3-diamino-N'-methylprop-2-enimidamide

C4H10N4 — CID 88913465

IUPAC(E)-2,3-diamino-N'-methylprop-2-enimidamide
SMILESC/N=C(N)/C(N)=C\N
InChIInChI=1S/C4H10N4/c1-8-4(7)3(6)2-5/h2H,5-6H2,1H3,(H2,7,8)/b3-2+
InChIKeyIJOPFNHCAQCLEA-NSCUHMNNSA-N
MW114.15 g/mol
LogP-1.27
Rot. Bonds1

About (E)-2,3-diamino-N'-methylprop-2-enimidamide

(E)-2,3-diamino-N'-methylprop-2-enimidamide (PubChem CID 88913465) has the molecular formula C4H10N4 and a molecular weight of 114.15 g/mol. Its IUPAC name is (E)-2,3-diamino-N'-methylprop-2-enimidamide.

Molecular Properties

Compound Name(E)-2,3-diamino-N'-methylprop-2-enimidamide
PubChem CID88913465
Molecular FormulaC4H10N4
Molecular Weight114.15 g/mol
Exact Mass114.09
IUPAC Name(E)-2,3-diamino-N'-methylprop-2-enimidamide
SMILESC/N=C(N)/C(N)=C\N
InChIInChI=1S/C4H10N4/c1-8-4(7)3(6)2-5/h2H,5-6H2,1H3,(H2,7,8)/b3-2+
InChIKeyIJOPFNHCAQCLEA-NSCUHMNNSA-N
XLogP-1.27
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-1.27
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)-2,3-diamino-N'-methylprop-2-enimidamide?
The IUPAC name of (E)-2,3-diamino-N'-methylprop-2-enimidamide (CID 88913465) is (E)-2,3-diamino-N'-methylprop-2-enimidamide.
What is the SMILES notation for (E)-2,3-diamino-N'-methylprop-2-enimidamide?
The canonical SMILES for (E)-2,3-diamino-N'-methylprop-2-enimidamide is C/N=C(N)/C(N)=C\N.
What is the InChIKey of (E)-2,3-diamino-N'-methylprop-2-enimidamide?
The InChIKey is IJOPFNHCAQCLEA-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H10N4/c1-8-4(7)3(6)2-5/h2H,5-6H2,1H3,(H2,7,8)/b3-2+.
What are the key properties of (E)-2,3-diamino-N'-methylprop-2-enimidamide?
(E)-2,3-diamino-N'-methylprop-2-enimidamide has a molecular weight of 114.15 g/mol, XLogP of -1.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diamino-N'-methylprop-2-enimidamide is sourced from PubChem (CID 88913465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).