(Z)-N,N'-dimethylbut-2-enimidamide

C6H12N2 — CID 58400962

IUPAC(Z)-N,N'-dimethylbut-2-enimidamide
SMILESC/C=C\C(=N\C)NC
InChIInChI=1S/C6H12N2/c1-4-5-6(7-2)8-3/h4-5H,1-3H3,(H,7,8)/b5-4-
InChIKeySHVFXRHQNVCNFM-PLNGDYQASA-N
MW112.18 g/mol
LogP0.81
Rot. Bonds1

About (Z)-N,N'-dimethylbut-2-enimidamide

(Z)-N,N'-dimethylbut-2-enimidamide (PubChem CID 58400962) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is (Z)-N,N'-dimethylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N,N'-dimethylbut-2-enimidamide
PubChem CID58400962
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name(Z)-N,N'-dimethylbut-2-enimidamide
SMILESC/C=C\C(=N\C)NC
InChIInChI=1S/C6H12N2/c1-4-5-6(7-2)8-3/h4-5H,1-3H3,(H,7,8)/b5-4-
InChIKeySHVFXRHQNVCNFM-PLNGDYQASA-N
XLogP0.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,N'-dimethylbut-2-enimidamide?
The IUPAC name of (Z)-N,N'-dimethylbut-2-enimidamide (CID 58400962) is (Z)-N,N'-dimethylbut-2-enimidamide.
What is the SMILES notation for (Z)-N,N'-dimethylbut-2-enimidamide?
The canonical SMILES for (Z)-N,N'-dimethylbut-2-enimidamide is C/C=C\C(=N\C)NC.
What is the InChIKey of (Z)-N,N'-dimethylbut-2-enimidamide?
The InChIKey is SHVFXRHQNVCNFM-PLNGDYQASA-N. The full InChI is InChI=1S/C6H12N2/c1-4-5-6(7-2)8-3/h4-5H,1-3H3,(H,7,8)/b5-4-.
What are the key properties of (Z)-N,N'-dimethylbut-2-enimidamide?
(Z)-N,N'-dimethylbut-2-enimidamide has a molecular weight of 112.18 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N'-dimethylbut-2-enimidamide is sourced from PubChem (CID 58400962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).