(3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide

C12H18N2 — CID 129299695

IUPAC(3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide
SMILES[H]/N=C(\N)C(=C)/C(=C/C=C(C)C)C(=C)C
InChIInChI=1S/C12H18N2/c1-8(2)6-7-11(9(3)4)10(5)12(13)14/h6-7H,3,5H2,1-2,4H3,(H3,13,14)/b11-7+
InChIKeySHSHQELJLUGAFT-YRNVUSSQSA-N
MW190.29 g/mol
LogP2.95
Rot. Bonds4

About (3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide

(3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide (PubChem CID 129299695) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide.

Molecular Properties

Compound Name(3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide
PubChem CID129299695
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide
SMILES[H]/N=C(\N)C(=C)/C(=C/C=C(C)C)C(=C)C
InChIInChI=1S/C12H18N2/c1-8(2)6-7-11(9(3)4)10(5)12(13)14/h6-7H,3,5H2,1-2,4H3,(H3,13,14)/b11-7+
InChIKeySHSHQELJLUGAFT-YRNVUSSQSA-N
XLogP2.95
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide 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 (3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide?
The IUPAC name of (3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide (CID 129299695) is (3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide.
What is the SMILES notation for (3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide?
The canonical SMILES for (3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide is [H]/N=C(\N)C(=C)/C(=C/C=C(C)C)C(=C)C.
What is the InChIKey of (3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide?
The InChIKey is SHSHQELJLUGAFT-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H18N2/c1-8(2)6-7-11(9(3)4)10(5)12(13)14/h6-7H,3,5H2,1-2,4H3,(H3,13,14)/b11-7+.
What are the key properties of (3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide?
(3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide has a molecular weight of 190.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-methyl-2-methylidene-3-prop-1-en-2-ylhepta-3,5-dienimidamide is sourced from PubChem (CID 129299695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).