N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline

C24H29N — CID 163998353

IUPACN-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline
SMILESCCC(C)C1=CC=C(N(c2ccc(C)cc2)c2ccc(C)cc2)CC1
InChIInChI=1S/C24H29N/c1-5-20(4)21-10-16-24(17-11-21)25(22-12-6-18(2)7-13-22)23-14-8-19(3)9-15-23/h6-10,12-16,20H,5,11,17H2,1-4H3
InChIKeyUGSAIULYRJNGHN-UHFFFAOYSA-N
MW331.50 g/mol
LogP7.09
Rot. Bonds5

About N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline

N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 163998353) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline
PubChem CID163998353
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC NameN-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline
SMILESCCC(C)C1=CC=C(N(c2ccc(C)cc2)c2ccc(C)cc2)CC1
InChIInChI=1S/C24H29N/c1-5-20(4)21-10-16-24(17-11-21)25(22-12-6-18(2)7-13-22)23-14-8-19(3)9-15-23/h6-10,12-16,20H,5,11,17H2,1-4H3
InChIKeyUGSAIULYRJNGHN-UHFFFAOYSA-N
XLogP7.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline (CID 163998353) is N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline is CCC(C)C1=CC=C(N(c2ccc(C)cc2)c2ccc(C)cc2)CC1.
What is the InChIKey of N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is UGSAIULYRJNGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N/c1-5-20(4)21-10-16-24(17-11-21)25(22-12-6-18(2)7-13-22)23-14-8-19(3)9-15-23/h6-10,12-16,20H,5,11,17H2,1-4H3.
What are the key properties of N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline?
N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 331.50 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 163998353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).