N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline

C20H23N — CID 90760439

IUPACN-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline
SMILESCc1ccc(N(C2=CC(C)CC=C2)C2=CC=CCC2)cc1
InChIInChI=1S/C20H23N/c1-16-11-13-19(14-12-16)21(18-8-4-3-5-9-18)20-10-6-7-17(2)15-20/h3-4,6,8,10-15,17H,5,7,9H2,1-2H3
InChIKeyIRPANZFFPNFSEP-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.52
Rot. Bonds3

About N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline

N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline (PubChem CID 90760439) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline
PubChem CID90760439
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline
SMILESCc1ccc(N(C2=CC(C)CC=C2)C2=CC=CCC2)cc1
InChIInChI=1S/C20H23N/c1-16-11-13-19(14-12-16)21(18-8-4-3-5-9-18)20-10-6-7-17(2)15-20/h3-4,6,8,10-15,17H,5,7,9H2,1-2H3
InChIKeyIRPANZFFPNFSEP-UHFFFAOYSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 134171912
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[(E)-prop-1-enyl]aniline
CID 139364225
N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine
CID 129170977
N-cyclohexa-1,3-dien-1-yl-N-cyclohexa-1,5-dien-1-yl-4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]aniline
CID 67121499
N-[4-[4-(N-[4-[4-[N-cyclohexa-1,3-dien-1-yl-4-[4-(3-methyl-N-(3-methylcyclohexa-1,3-dien-1-yl)anilino)phenyl]anilino]phenyl]phenyl]anilino)phenyl]phenyl]-3-methyl-N-(3-methylcyclohexa-2,4-dien-1-yl)aniline
CID 154936997
1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 166657814
9-N-(3-methylcyclohexa-1,5-dien-1-yl)-9-N,10-N,10-N-triphenyl-1,2-dihydroanthracene-9,10-diamine
CID 166844824
4-[1-(1,2,8,8a-tetrahydronaphthalen-1-yl)ethyl]-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
CID 70920041
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273
4-tert-butyl-N-cyclohexa-1,3-dien-1-yl-N-phenylaniline
CID 163765036
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 143438550
N-cyclohexa-1,3-dien-1-yl-N-phenyl-4-[4-(N-phenylanilino)phenyl]sulfonylaniline
CID 170319221

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline (CID 90760439) is N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline is Cc1ccc(N(C2=CC(C)CC=C2)C2=CC=CCC2)cc1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline?
The InChIKey is IRPANZFFPNFSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-16-11-13-19(14-12-16)21(18-8-4-3-5-9-18)20-10-6-7-17(2)15-20/h3-4,6,8,10-15,17H,5,7,9H2,1-2H3.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline?
N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline has a molecular weight of 277.41 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-4-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)aniline is sourced from PubChem (CID 90760439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).