3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide

C13H24N2 — CID 143378489

IUPAC3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide
SMILESCCC/C=C(/N=C(/N)C=C(C)C)C(C)C
InChIInChI=1S/C13H24N2/c1-6-7-8-12(11(4)5)15-13(14)9-10(2)3/h8-9,11H,6-7H2,1-5H3,(H2,14,15)/b12-8+
InChIKeyRFFWEAXKDMKMBA-XYOKQWHBSA-N
MW208.35 g/mol
LogP3.65
Rot. Bonds5

About 3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide

3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide (PubChem CID 143378489) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide.

Molecular Properties

Compound Name3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide
PubChem CID143378489
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide
SMILESCCC/C=C(/N=C(/N)C=C(C)C)C(C)C
InChIInChI=1S/C13H24N2/c1-6-7-8-12(11(4)5)15-13(14)9-10(2)3/h8-9,11H,6-7H2,1-5H3,(H2,14,15)/b12-8+
InChIKeyRFFWEAXKDMKMBA-XYOKQWHBSA-N
XLogP3.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.65
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 3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide?
The IUPAC name of 3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide (CID 143378489) is 3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide.
What is the SMILES notation for 3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide?
The canonical SMILES for 3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide is CCC/C=C(/N=C(/N)C=C(C)C)C(C)C.
What is the InChIKey of 3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide?
The InChIKey is RFFWEAXKDMKMBA-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-7-8-12(11(4)5)15-13(14)9-10(2)3/h8-9,11H,6-7H2,1-5H3,(H2,14,15)/b12-8+.
What are the key properties of 3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide?
3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide has a molecular weight of 208.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(E)-2-methylhept-3-en-3-yl]but-2-enimidamide is sourced from PubChem (CID 143378489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).