N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline

C19H23N — CID 166829377

IUPACN-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline
SMILESC=C(/C=C\C)N(C)c1ccccc1C1=CCC(C)C=C1
InChIInChI=1S/C19H23N/c1-5-8-16(3)20(4)19-10-7-6-9-18(19)17-13-11-15(2)12-14-17/h5-11,13-15H,3,12H2,1-2,4H3/b8-5-
InChIKeyXPCAJHLULIZNJL-YVMONPNESA-N
MW265.40 g/mol
LogP5.19
Rot. Bonds4

About N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline

N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline (PubChem CID 166829377) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline.

Molecular Properties

Compound NameN-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline
PubChem CID166829377
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline
SMILESC=C(/C=C\C)N(C)c1ccccc1C1=CCC(C)C=C1
InChIInChI=1S/C19H23N/c1-5-8-16(3)20(4)19-10-7-6-9-18(19)17-13-11-15(2)12-14-17/h5-11,13-15H,3,12H2,1-2,4H3/b8-5-
InChIKeyXPCAJHLULIZNJL-YVMONPNESA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
CID 142604826
2-(4-methylcyclohexa-1,5-dien-1-yl)-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 134219894
N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 146414763
3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]cyclohexa-1,5-dien-1-yl]-4-phenyl-N,N-bis[4-phenyl-3-(4-phenylphenyl)phenyl]aniline
CID 134194323
3-[2-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-[2-[2-[3-[6-(2-phenylphenyl)pyridazin-3-yl]phenyl]phenyl]phenyl]phenyl]pyridazine
CID 170241522
4-(4-methylcyclohexa-1,5-dien-1-yl)-N-[4-(4-methylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 144854487
N-[1-(2-methylcyclopropyl)ethenyl]-N-[(3Z)-penta-1,3-dien-2-yl]aniline
CID 142925747
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine
CID 142481137
ethene;5-[4-[2,3,6,7-tetramethyl-10-(4-methylcyclohexa-1,5-dien-1-yl)anthracen-9-yl]cyclohexa-2,4-dien-1-yl]benzo[b][1]benzoborole
CID 143282990
[(3E)-1-cyclohexa-1,5-dien-1-yl-1-(4-methylcyclohexa-1,5-dien-1-yl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 144537021
N,N-bis[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-2-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylaniline
CID 154972808
N-[4-[5-(4-methylcyclohexa-1,5-dien-1-yl)thiophen-2-yl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]-4-phenylaniline
CID 144874400

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline?
The IUPAC name of N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline (CID 166829377) is N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline.
What is the SMILES notation for N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline?
The canonical SMILES for N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline is C=C(/C=C\C)N(C)c1ccccc1C1=CCC(C)C=C1.
What is the InChIKey of N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline?
The InChIKey is XPCAJHLULIZNJL-YVMONPNESA-N. The full InChI is InChI=1S/C19H23N/c1-5-8-16(3)20(4)19-10-7-6-9-18(19)17-13-11-15(2)12-14-17/h5-11,13-15H,3,12H2,1-2,4H3/b8-5-.
What are the key properties of N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline?
N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline has a molecular weight of 265.40 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)-N-[(3Z)-penta-1,3-dien-2-yl]aniline is sourced from PubChem (CID 166829377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).