4-(4-aminophenyl)aniline;ethane;bis(pyridine)

C26H34N4 — CID 161174430

IUPAC4-(4-aminophenyl)aniline;ethane;bis(pyridine)
SMILESCC.CC.Nc1ccc(-c2ccc(N)cc2)cc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C12H12N2.2C5H5N.2C2H6/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*1-2-4-6-5-3-1;2*1-2/h1-8H,13-14H2;2*1-5H;2*1-2H3
InChIKeyURPOSONQHROAAE-UHFFFAOYSA-N
MW402.59 g/mol
LogP6.73
Rot. Bonds1

About 4-(4-aminophenyl)aniline;ethane;bis(pyridine)

4-(4-aminophenyl)aniline;ethane;bis(pyridine) (PubChem CID 161174430) has the molecular formula C26H34N4 and a molecular weight of 402.59 g/mol. Its IUPAC name is 4-(4-aminophenyl)aniline;ethane;bis(pyridine).

Molecular Properties

Compound Name4-(4-aminophenyl)aniline;ethane;bis(pyridine)
PubChem CID161174430
Molecular FormulaC26H34N4
Molecular Weight402.59 g/mol
Exact Mass402.28
IUPAC Name4-(4-aminophenyl)aniline;ethane;bis(pyridine)
SMILESCC.CC.Nc1ccc(-c2ccc(N)cc2)cc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C12H12N2.2C5H5N.2C2H6/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*1-2-4-6-5-3-1;2*1-2/h1-8H,13-14H2;2*1-5H;2*1-2H3
InChIKeyURPOSONQHROAAE-UHFFFAOYSA-N
XLogP6.73
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.59
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

aniline;2,3-dimethylbut-2-ene;ethane;pyridine
CID 123663705
4-pyridin-3-ylaniline;dihydrochloride
CID 154574926
ethane;methanamine;pyridine
CID 90762425
ethane;bis(pyridine);toluene
CID 90934596
ethane;4-(4-methylphenyl)aniline
CID 142892908
4-(4-aminophenyl)aniline;chloromethane
CID 174340925
ethane;methane;pyridine
CID 159650211
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
pyridine bromide
CID 19422742
bis(pyridine);1,4-xylene;hydrobromide
CID 70404637
aniline;carbanide;ethane;yttrium
CID 160556611
CID 158771244
CID 158771244

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)aniline;ethane;bis(pyridine)?
The IUPAC name of 4-(4-aminophenyl)aniline;ethane;bis(pyridine) (CID 161174430) is 4-(4-aminophenyl)aniline;ethane;bis(pyridine).
What is the SMILES notation for 4-(4-aminophenyl)aniline;ethane;bis(pyridine)?
The canonical SMILES for 4-(4-aminophenyl)aniline;ethane;bis(pyridine) is CC.CC.Nc1ccc(-c2ccc(N)cc2)cc1.c1ccncc1.c1ccncc1.
What is the InChIKey of 4-(4-aminophenyl)aniline;ethane;bis(pyridine)?
The InChIKey is URPOSONQHROAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2C5H5N.2C2H6/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*1-2-4-6-5-3-1;2*1-2/h1-8H,13-14H2;2*1-5H;2*1-2H3.
What are the key properties of 4-(4-aminophenyl)aniline;ethane;bis(pyridine)?
4-(4-aminophenyl)aniline;ethane;bis(pyridine) has a molecular weight of 402.59 g/mol, XLogP of 6.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)aniline;ethane;bis(pyridine) is sourced from PubChem (CID 161174430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).