4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide

C15H20N2 — CID 143165725

IUPAC4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(C(/C=C\C)=C(C)C)c1
InChIInChI=1S/C15H20N2/c1-5-6-13(10(2)3)14-9-12(15(16)17)8-7-11(14)4/h5-9H,1-4H3,(H3,16,17)/b6-5-
InChIKeyVWQBJRKIDQWUSQ-WAYWQWQTSA-N
MW228.34 g/mol
LogP3.65
Rot. Bonds3

About 4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide

4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide (PubChem CID 143165725) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide
PubChem CID143165725
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)c(C(/C=C\C)=C(C)C)c1
InChIInChI=1S/C15H20N2/c1-5-6-13(10(2)3)14-9-12(15(16)17)8-7-11(14)4/h5-9H,1-4H3,(H3,16,17)/b6-5-
InChIKeyVWQBJRKIDQWUSQ-WAYWQWQTSA-N
XLogP3.65
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.65
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 4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Related Compounds

3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide
CID 142087834
4-hydroxy-3-prop-1-enylbenzenecarboximidamide
CID 141032250
3-(diethylamino)-4-methylbenzenecarboximidamide
CID 173214309
4-methyl-1-[3-methyl-4-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]pent-4-en-1-imine
CID 167054725
3-(difluoromethoxy)-4-methylbenzenecarboximidamide
CID 107657251
4-(dimethylamino)-3-fluorobenzenecarboximidamide
CID 43658256
4-ethanimidoylbenzenecarboximidamide
CID 148687988
4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride
CID 24846159
ethane;2-[3-[4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]phenyl]phenyl]-9H-carbazole
CID 145218139
3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 63087256
3-[2-(diethylamino)ethoxy]-4-methylbenzenecarboximidamide
CID 107912552

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide?
The IUPAC name of 4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide (CID 143165725) is 4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide.
What is the SMILES notation for 4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide?
The canonical SMILES for 4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(C)c(C(/C=C\C)=C(C)C)c1.
What is the InChIKey of 4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide?
The InChIKey is VWQBJRKIDQWUSQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H20N2/c1-5-6-13(10(2)3)14-9-12(15(16)17)8-7-11(14)4/h5-9H,1-4H3,(H3,16,17)/b6-5-.
What are the key properties of 4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide?
4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide has a molecular weight of 228.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4Z)-2-methylhexa-2,4-dien-3-yl]benzenecarboximidamide is sourced from PubChem (CID 143165725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).