(Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide

C6H11N3 — CID 145294758

IUPAC(Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide
SMILESC=NC(=C\C)/C(N)=N/C
InChIInChI=1S/C6H11N3/c1-4-5(8-2)6(7)9-3/h4H,2H2,1,3H3,(H2,7,9)/b5-4-
InChIKeyPMKMNHHMPQITCZ-PLNGDYQASA-N
MW125.17 g/mol
LogP0.58
Rot. Bonds2

About (Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide

(Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide (PubChem CID 145294758) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide
PubChem CID145294758
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide
SMILESC=NC(=C\C)/C(N)=N/C
InChIInChI=1S/C6H11N3/c1-4-5(8-2)6(7)9-3/h4H,2H2,1,3H3,(H2,7,9)/b5-4-
InChIKeyPMKMNHHMPQITCZ-PLNGDYQASA-N
XLogP0.58
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
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 (Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide?
The IUPAC name of (Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide (CID 145294758) is (Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide.
What is the SMILES notation for (Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide?
The canonical SMILES for (Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide is C=NC(=C\C)/C(N)=N/C.
What is the InChIKey of (Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide?
The InChIKey is PMKMNHHMPQITCZ-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11N3/c1-4-5(8-2)6(7)9-3/h4H,2H2,1,3H3,(H2,7,9)/b5-4-.
What are the key properties of (Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide?
(Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-methyl-2-(methylideneamino)but-2-enimidamide is sourced from PubChem (CID 145294758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).