2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide

C13H24N2 — CID 166904645

IUPAC2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide
SMILESC=N/C(=N\C=C(/C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-10(12(2,3)4)9-15-11(14-8)13(5,6)7/h9H,8H2,1-7H3/b10-9+,15-11-
InChIKeyUODKJPOEENOKRD-RKVFCIRRSA-N
MW208.35 g/mol
LogP4.08
Rot. Bonds1

About 2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide

2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide (PubChem CID 166904645) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide
PubChem CID166904645
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide
SMILESC=N/C(=N\C=C(/C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H24N2/c1-10(12(2,3)4)9-15-11(14-8)13(5,6)7/h9H,8H2,1-7H3/b10-9+,15-11-
InChIKeyUODKJPOEENOKRD-RKVFCIRRSA-N
XLogP4.08
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.08
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'}

Analyze 2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide?
The IUPAC name of 2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide (CID 166904645) is 2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide?
The canonical SMILES for 2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide is C=N/C(=N\C=C(/C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide?
The InChIKey is UODKJPOEENOKRD-RKVFCIRRSA-N. The full InChI is InChI=1S/C13H24N2/c1-10(12(2,3)4)9-15-11(14-8)13(5,6)7/h9H,8H2,1-7H3/b10-9+,15-11-.
What are the key properties of 2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide?
2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide has a molecular weight of 208.35 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-methylidene-N'-[(E)-2,3,3-trimethylbut-1-enyl]propanimidamide is sourced from PubChem (CID 166904645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).