(E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide

C10H16N2 — CID 126596197

IUPAC(E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide
SMILESC=NC(=N\C=C(C)C)/C(C)=C/C
InChIInChI=1S/C10H16N2/c1-6-9(4)10(11-5)12-7-8(2)3/h6-7H,5H2,1-4H3/b9-6+,12-10-
InChIKeySBPMUWITORUFRA-QJUYYABZSA-N
MW164.25 g/mol
LogP2.98
Rot. Bonds2

About (E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide

(E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide (PubChem CID 126596197) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide.

Molecular Properties

Compound Name(E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide
PubChem CID126596197
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide
SMILESC=NC(=N\C=C(C)C)/C(C)=C/C
InChIInChI=1S/C10H16N2/c1-6-9(4)10(11-5)12-7-8(2)3/h6-7H,5H2,1-4H3/b9-6+,12-10-
InChIKeySBPMUWITORUFRA-QJUYYABZSA-N
XLogP2.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
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 (E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide?
The IUPAC name of (E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide (CID 126596197) is (E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide.
What is the SMILES notation for (E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide?
The canonical SMILES for (E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide is C=NC(=N\C=C(C)C)/C(C)=C/C.
What is the InChIKey of (E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide?
The InChIKey is SBPMUWITORUFRA-QJUYYABZSA-N. The full InChI is InChI=1S/C10H16N2/c1-6-9(4)10(11-5)12-7-8(2)3/h6-7H,5H2,1-4H3/b9-6+,12-10-.
What are the key properties of (E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide?
(E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-methylidene-N'-(2-methylprop-1-enyl)but-2-enimidamide is sourced from PubChem (CID 126596197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).