4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine

C25H37N3 — CID 134179374

IUPAC4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
SMILESCCCCc1ccc(Nc2ccc(NC3CC(C)(C)NC(C)(C)C3)cc2)cc1
InChIInChI=1S/C25H37N3/c1-6-7-8-19-9-11-20(12-10-19)26-21-13-15-22(16-14-21)27-23-17-24(2,3)28-25(4,5)18-23/h9-16,23,26-28H,6-8,17-18H2,1-5H3
InChIKeyYKQAAUHLKMSXKM-UHFFFAOYSA-N
MW379.59 g/mol
LogP6.49
Rot. Bonds7

About 4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine

4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine (PubChem CID 134179374) has the molecular formula C25H37N3 and a molecular weight of 379.59 g/mol. Its IUPAC name is 4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
PubChem CID134179374
Molecular FormulaC25H37N3
Molecular Weight379.59 g/mol
Exact Mass379.30
IUPAC Name4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
SMILESCCCCc1ccc(Nc2ccc(NC3CC(C)(C)NC(C)(C)C3)cc2)cc1
InChIInChI=1S/C25H37N3/c1-6-7-8-19-9-11-20(12-10-19)26-21-13-15-22(16-14-21)27-23-17-24(2,3)28-25(4,5)18-23/h9-16,23,26-28H,6-8,17-18H2,1-5H3
InChIKeyYKQAAUHLKMSXKM-UHFFFAOYSA-N
XLogP6.49
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Related Compounds

N-(4-butylphenyl)-5,5-dimethylthian-3-amine
CID 79955328
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2,2,6,6-tetramethyl-N-[3-(4-methylphenyl)propyl]piperidin-4-amine
CID 83457113
4-butyl-N-(3-methylcyclohexyl)aniline
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N-(4-butylphenyl)-5-methylthiolan-3-amine
CID 79942068
4-butyl-N-(4-tert-butylphenyl)aniline
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3-(4-butylanilino)pyrrolidine-2,5-dione
CID 43637893
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
N-(4-butylphenyl)-4-ethylcycloheptan-1-amine
CID 65082977
4-(4-butylphenyl)-N-phenylaniline
CID 141426915
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine (CID 134179374) is 4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine is CCCCc1ccc(Nc2ccc(NC3CC(C)(C)NC(C)(C)C3)cc2)cc1.
What is the InChIKey of 4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine?
The InChIKey is YKQAAUHLKMSXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3/c1-6-7-8-19-9-11-20(12-10-19)26-21-13-15-22(16-14-21)27-23-17-24(2,3)28-25(4,5)18-23/h9-16,23,26-28H,6-8,17-18H2,1-5H3.
What are the key properties of 4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine?
4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine has a molecular weight of 379.59 g/mol, XLogP of 6.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 134179374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).