N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide

C13H22N2 — CID 129173047

IUPACN'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide
SMILESC=C(C)N/C(=N/C=C(\C)C(C)C)C(=C)C
InChIInChI=1S/C13H22N2/c1-9(2)12(7)8-14-13(10(3)4)15-11(5)6/h8-9H,3,5H2,1-2,4,6-7H3,(H,14,15)/b12-8+
InChIKeyKQUKDXROMXMQAY-XYOKQWHBSA-N
MW206.33 g/mol
LogP3.64
Rot. Bonds4

About N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide

N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide (PubChem CID 129173047) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide.

Molecular Properties

Compound NameN'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide
PubChem CID129173047
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide
SMILESC=C(C)N/C(=N/C=C(\C)C(C)C)C(=C)C
InChIInChI=1S/C13H22N2/c1-9(2)12(7)8-14-13(10(3)4)15-11(5)6/h8-9H,3,5H2,1-2,4,6-7H3,(H,14,15)/b12-8+
InChIKeyKQUKDXROMXMQAY-XYOKQWHBSA-N
XLogP3.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.64
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 N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide?
The IUPAC name of N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide (CID 129173047) is N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide.
What is the SMILES notation for N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide?
The canonical SMILES for N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide is C=C(C)N/C(=N/C=C(\C)C(C)C)C(=C)C.
What is the InChIKey of N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide?
The InChIKey is KQUKDXROMXMQAY-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H22N2/c1-9(2)12(7)8-14-13(10(3)4)15-11(5)6/h8-9H,3,5H2,1-2,4,6-7H3,(H,14,15)/b12-8+.
What are the key properties of N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide?
N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide has a molecular weight of 206.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2,3-dimethylbut-1-enyl]-2-methyl-N-prop-1-en-2-ylprop-2-enimidamide is sourced from PubChem (CID 129173047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).