methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline

C20H25N3 — CID 143565487

IUPACmethanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline
SMILESC=C(/C=C\c1ccccc1C)/C=N/N(C)c1ccccc1.CN
InChIInChI=1S/C19H20N2.CH5N/c1-16(13-14-18-10-8-7-9-17(18)2)15-20-21(3)19-11-5-4-6-12-19;1-2/h4-15H,1H2,2-3H3;2H2,1H3/b14-13-,20-15+;
InChIKeyKJQDHARGBNSCEQ-OXPLKBHGSA-N
MW307.44 g/mol
LogP4.26
Rot. Bonds5

About methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline

methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline (PubChem CID 143565487) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline.

Molecular Properties

Compound Namemethanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline
PubChem CID143565487
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Namemethanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline
SMILESC=C(/C=C\c1ccccc1C)/C=N/N(C)c1ccccc1.CN
InChIInChI=1S/C19H20N2.CH5N/c1-16(13-14-18-10-8-7-9-17(18)2)15-20-21(3)19-11-5-4-6-12-19;1-2/h4-15H,1H2,2-3H3;2H2,1H3/b14-13-,20-15+;
InChIKeyKJQDHARGBNSCEQ-OXPLKBHGSA-N
XLogP4.26
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline 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

N-[(Z)-[(3Z)-2,3-bis[methyl(phenyl)hydrazinylidene]propylidene]amino]-N-methylaniline
CID 6080786
1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
CID 2729839
N-methyl-N-[(Z)-[(2Z)-2-[methyl(phenyl)hydrazinylidene]-2-phenylethylidene]amino]aniline
CID 40540962
2-[methyl(phenyl)hydrazinylidene]acetyl chloride
CID 23261017
2-methylprop-1-ene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 144743897
methyl-[(1Z,3E)-3-[(E)-[methyl(phenyl)hydrazinylidene]methyl]hexa-1,3,5-trienyl]azanium
CID 143819841
N-(diaminomethylidene)-3-(2-methylphenyl)prop-2-enamide
CID 69438320
(E)-N,N-dimethyl-3-(2-methylphenyl)prop-2-enimidamide
CID 134112300
(1E,4Z,6E)-5-hydroxy-1,7-bis(2-methylphenyl)hepta-1,4,6-trien-3-one
CID 11814409
N-[(Z)-2-(2-methylphenyl)ethenyl]methanimine
CID 129049120
N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline
CID 70554850
CID 59860921
CID 59860921

Frequently Asked Questions

What is the IUPAC name of methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline?
The IUPAC name of methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline (CID 143565487) is methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline.
What is the SMILES notation for methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline?
The canonical SMILES for methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline is C=C(/C=C\c1ccccc1C)/C=N/N(C)c1ccccc1.CN.
What is the InChIKey of methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline?
The InChIKey is KJQDHARGBNSCEQ-OXPLKBHGSA-N. The full InChI is InChI=1S/C19H20N2.CH5N/c1-16(13-14-18-10-8-7-9-17(18)2)15-20-21(3)19-11-5-4-6-12-19;1-2/h4-15H,1H2,2-3H3;2H2,1H3/b14-13-,20-15+;.
What are the key properties of methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline?
methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline has a molecular weight of 307.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;N-methyl-N-[(E)-[(Z)-2-methylidene-4-(2-methylphenyl)but-3-enylidene]amino]aniline is sourced from PubChem (CID 143565487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).