2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline

C34H43N — CID 134526530

IUPAC2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline
SMILESC=Cc1c(N)c(-c2ccc(C)c(C)c2)c(C)c(-c2ccc(C)c(C)c2)c1C(CC(C)(C)C)C(=C)C
InChIInChI=1S/C34H43N/c1-12-28-32(29(20(2)3)19-34(9,10)11)30(26-15-13-21(4)23(6)17-26)25(8)31(33(28)35)27-16-14-22(5)24(7)18-27/h12-18,29H,1-2,19,35H2,3-11H3
InChIKeyIVAPJZDCFQOYHO-UHFFFAOYSA-N
MW465.73 g/mol
LogP9.88
Rot. Bonds6

About 2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline

2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline (PubChem CID 134526530) has the molecular formula C34H43N and a molecular weight of 465.73 g/mol. Its IUPAC name is 2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline.

Molecular Properties

Compound Name2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline
PubChem CID134526530
Molecular FormulaC34H43N
Molecular Weight465.73 g/mol
Exact Mass465.34
IUPAC Name2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline
SMILESC=Cc1c(N)c(-c2ccc(C)c(C)c2)c(C)c(-c2ccc(C)c(C)c2)c1C(CC(C)(C)C)C(=C)C
InChIInChI=1S/C34H43N/c1-12-28-32(29(20(2)3)19-34(9,10)11)30(26-15-13-21(4)23(6)17-26)25(8)31(33(28)35)27-16-14-22(5)24(7)18-27/h12-18,29H,1-2,19,35H2,3-11H3
InChIKeyIVAPJZDCFQOYHO-UHFFFAOYSA-N
XLogP9.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.73
LogP ≤ 59.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 15352
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CID 16733
4-Aminopyrene
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4,4'-Methylenebis(2,6-diisopropylaniline)
CID 88307
9-Aminoanthracene
CID 13069
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CID 80920
3-Methyl-2-naphthalenamine
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4,4'-(1,4-Phenylenediisopropylidene)bisaniline
CID 75930
4-(4-Amino-2,5-dimethylbenzyl)-2,5-dimethylaniline
CID 220590

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline?
The IUPAC name of 2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline (CID 134526530) is 2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline.
What is the SMILES notation for 2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline?
The canonical SMILES for 2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline is C=Cc1c(N)c(-c2ccc(C)c(C)c2)c(C)c(-c2ccc(C)c(C)c2)c1C(CC(C)(C)C)C(=C)C.
What is the InChIKey of 2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline?
The InChIKey is IVAPJZDCFQOYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N/c1-12-28-32(29(20(2)3)19-34(9,10)11)30(26-15-13-21(4)23(6)17-26)25(8)31(33(28)35)27-16-14-22(5)24(7)18-27/h12-18,29H,1-2,19,35H2,3-11H3.
What are the key properties of 2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline?
2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline has a molecular weight of 465.73 g/mol, XLogP of 9.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3,4-dimethylphenyl)-6-ethenyl-3-methyl-5-(2,5,5-trimethylhex-1-en-3-yl)aniline is sourced from PubChem (CID 134526530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).