2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide

C11H20N2 — CID 156526920

IUPAC2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide
SMILESC=N/C(=N\C=C(/C)CCC)C(C)C
InChIInChI=1S/C11H20N2/c1-6-7-10(4)8-13-11(12-5)9(2)3/h8-9H,5-7H2,1-4H3/b10-8+,13-11-
InChIKeyYSFXOCLPKHFZCZ-HYTQODBISA-N
MW180.29 g/mol
LogP3.45
Rot. Bonds4

About 2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide

2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide (PubChem CID 156526920) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide
PubChem CID156526920
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide
SMILESC=N/C(=N\C=C(/C)CCC)C(C)C
InChIInChI=1S/C11H20N2/c1-6-7-10(4)8-13-11(12-5)9(2)3/h8-9H,5-7H2,1-4H3/b10-8+,13-11-
InChIKeyYSFXOCLPKHFZCZ-HYTQODBISA-N
XLogP3.45
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.45
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 2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide?
The IUPAC name of 2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide (CID 156526920) is 2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide.
What is the SMILES notation for 2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide?
The canonical SMILES for 2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide is C=N/C(=N\C=C(/C)CCC)C(C)C.
What is the InChIKey of 2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide?
The InChIKey is YSFXOCLPKHFZCZ-HYTQODBISA-N. The full InChI is InChI=1S/C11H20N2/c1-6-7-10(4)8-13-11(12-5)9(2)3/h8-9H,5-7H2,1-4H3/b10-8+,13-11-.
What are the key properties of 2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide?
2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide has a molecular weight of 180.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-methylidene-N'-[(E)-2-methylpent-1-enyl]propanimidamide is sourced from PubChem (CID 156526920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).