(Z)-2,3-diamino-N'-methylbut-2-enimidamide

C5H12N4 — CID 167237416

IUPAC(Z)-2,3-diamino-N'-methylbut-2-enimidamide
SMILESC/N=C(N)/C(N)=C(\C)N
InChIInChI=1S/C5H12N4/c1-3(6)4(7)5(8)9-2/h6-7H2,1-2H3,(H2,8,9)/b4-3-
InChIKeyXIYQJTURIQPJBT-ARJAWSKDSA-N
MW128.18 g/mol
LogP-0.88
Rot. Bonds1

About (Z)-2,3-diamino-N'-methylbut-2-enimidamide

(Z)-2,3-diamino-N'-methylbut-2-enimidamide (PubChem CID 167237416) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is (Z)-2,3-diamino-N'-methylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-2,3-diamino-N'-methylbut-2-enimidamide
PubChem CID167237416
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name(Z)-2,3-diamino-N'-methylbut-2-enimidamide
SMILESC/N=C(N)/C(N)=C(\C)N
InChIInChI=1S/C5H12N4/c1-3(6)4(7)5(8)9-2/h6-7H2,1-2H3,(H2,8,9)/b4-3-
InChIKeyXIYQJTURIQPJBT-ARJAWSKDSA-N
XLogP-0.88
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.88
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 (Z)-2,3-diamino-N'-methylbut-2-enimidamide?
The IUPAC name of (Z)-2,3-diamino-N'-methylbut-2-enimidamide (CID 167237416) is (Z)-2,3-diamino-N'-methylbut-2-enimidamide.
What is the SMILES notation for (Z)-2,3-diamino-N'-methylbut-2-enimidamide?
The canonical SMILES for (Z)-2,3-diamino-N'-methylbut-2-enimidamide is C/N=C(N)/C(N)=C(\C)N.
What is the InChIKey of (Z)-2,3-diamino-N'-methylbut-2-enimidamide?
The InChIKey is XIYQJTURIQPJBT-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H12N4/c1-3(6)4(7)5(8)9-2/h6-7H2,1-2H3,(H2,8,9)/b4-3-.
What are the key properties of (Z)-2,3-diamino-N'-methylbut-2-enimidamide?
(Z)-2,3-diamino-N'-methylbut-2-enimidamide has a molecular weight of 128.18 g/mol, XLogP of -0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-diamino-N'-methylbut-2-enimidamide is sourced from PubChem (CID 167237416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).