N-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline

C23H27N — CID 134301730

IUPACN-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline
SMILESC=CC(=C)C(=C)N(c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H27N/c1-8-18(3)19(4)24(21-13-9-17(2)10-14-21)22-15-11-20(12-16-22)23(5,6)7/h8-16H,1,3-4H2,2,5-7H3
InChIKeyXDQJILWXXOMKTL-UHFFFAOYSA-N
MW317.48 g/mol
LogP6.69
Rot. Bonds5

About N-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline

N-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline (PubChem CID 134301730) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline
PubChem CID134301730
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC NameN-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline
SMILESC=CC(=C)C(=C)N(c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H27N/c1-8-18(3)19(4)24(21-13-9-17(2)10-14-21)22-15-11-20(12-16-22)23(5,6)7/h8-16H,1,3-4H2,2,5-7H3
InChIKeyXDQJILWXXOMKTL-UHFFFAOYSA-N
XLogP6.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline?
The IUPAC name of N-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline (CID 134301730) is N-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline?
The canonical SMILES for N-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline is C=CC(=C)C(=C)N(c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline?
The InChIKey is XDQJILWXXOMKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N/c1-8-18(3)19(4)24(21-13-9-17(2)10-14-21)22-15-11-20(12-16-22)23(5,6)7/h8-16H,1,3-4H2,2,5-7H3.
What are the key properties of N-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline?
N-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline has a molecular weight of 317.48 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-methyl-N-(3-methylidenepenta-1,4-dien-2-yl)aniline is sourced from PubChem (CID 134301730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).