3,5-didecyl-N-(4-decylphenyl)aniline

C42H71N — CID 102438287

IUPAC3,5-didecyl-N-(4-decylphenyl)aniline
SMILESCCCCCCCCCCc1ccc(Nc2cc(CCCCCCCCCC)cc(CCCCCCCCCC)c2)cc1
InChIInChI=1S/C42H71N/c1-4-7-10-13-16-19-22-25-28-38-31-33-41(34-32-38)43-42-36-39(29-26-23-20-17-14-11-8-5-2)35-40(37-42)30-27-24-21-18-15-12-9-6-3/h31-37,43H,4-30H2,1-3H3
InChIKeyKLBBJBJPIOILCI-UHFFFAOYSA-N
MW590.04 g/mol
LogP14.48
Rot. Bonds29

About 3,5-didecyl-N-(4-decylphenyl)aniline

3,5-didecyl-N-(4-decylphenyl)aniline (PubChem CID 102438287) has the molecular formula C42H71N and a molecular weight of 590.04 g/mol. Its IUPAC name is 3,5-didecyl-N-(4-decylphenyl)aniline.

Molecular Properties

Compound Name3,5-didecyl-N-(4-decylphenyl)aniline
PubChem CID102438287
Molecular FormulaC42H71N
Molecular Weight590.04 g/mol
Exact Mass589.56
IUPAC Name3,5-didecyl-N-(4-decylphenyl)aniline
SMILESCCCCCCCCCCc1ccc(Nc2cc(CCCCCCCCCC)cc(CCCCCCCCCC)c2)cc1
InChIInChI=1S/C42H71N/c1-4-7-10-13-16-19-22-25-28-38-31-33-41(34-32-38)43-42-36-39(29-26-23-20-17-14-11-8-5-2)35-40(37-42)30-27-24-21-18-15-12-9-6-3/h31-37,43H,4-30H2,1-3H3
InChIKeyKLBBJBJPIOILCI-UHFFFAOYSA-N
XLogP14.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.04
LogP ≤ 514.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938
4-methyl-N-(4-octylphenyl)aniline
CID 20625735
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
4-(4-hexylanilino)phenol
CID 101298409
4-(4-decylanilino)phenol
CID 101298429
N-methyl-4-nonadecylaniline
CID 175903606
4-hexadecyl-N-methylaniline
CID 22361119
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
1-butyl-4-nonylbenzene
CID 59545302
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
N-ethyl-4-nonylaniline
CID 154108619

Frequently Asked Questions

What is the IUPAC name of 3,5-didecyl-N-(4-decylphenyl)aniline?
The IUPAC name of 3,5-didecyl-N-(4-decylphenyl)aniline (CID 102438287) is 3,5-didecyl-N-(4-decylphenyl)aniline.
What is the SMILES notation for 3,5-didecyl-N-(4-decylphenyl)aniline?
The canonical SMILES for 3,5-didecyl-N-(4-decylphenyl)aniline is CCCCCCCCCCc1ccc(Nc2cc(CCCCCCCCCC)cc(CCCCCCCCCC)c2)cc1.
What is the InChIKey of 3,5-didecyl-N-(4-decylphenyl)aniline?
The InChIKey is KLBBJBJPIOILCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H71N/c1-4-7-10-13-16-19-22-25-28-38-31-33-41(34-32-38)43-42-36-39(29-26-23-20-17-14-11-8-5-2)35-40(37-42)30-27-24-21-18-15-12-9-6-3/h31-37,43H,4-30H2,1-3H3.
What are the key properties of 3,5-didecyl-N-(4-decylphenyl)aniline?
3,5-didecyl-N-(4-decylphenyl)aniline has a molecular weight of 590.04 g/mol, XLogP of 14.48, 29 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-didecyl-N-(4-decylphenyl)aniline is sourced from PubChem (CID 102438287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).