4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine

C24H37N3 — CID 18942806

IUPAC4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine
SMILESCCCCCCCCCCCCN(c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C24H37N3/c1-2-3-4-5-6-7-8-9-10-11-20-27(23-16-12-21(25)13-17-23)24-18-14-22(26)15-19-24/h12-19H,2-11,20,25-26H2,1H3
InChIKeyKWSCOWQUHSLJFM-UHFFFAOYSA-N
MW367.58 g/mol
LogP6.91
Rot. Bonds13

About 4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine

4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine (PubChem CID 18942806) has the molecular formula C24H37N3 and a molecular weight of 367.58 g/mol. Its IUPAC name is 4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine
PubChem CID18942806
Molecular FormulaC24H37N3
Molecular Weight367.58 g/mol
Exact Mass367.30
IUPAC Name4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine
SMILESCCCCCCCCCCCCN(c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C24H37N3/c1-2-3-4-5-6-7-8-9-10-11-20-27(23-16-12-21(25)13-17-23)24-18-14-22(26)15-19-24/h12-19H,2-11,20,25-26H2,1H3
InChIKeyKWSCOWQUHSLJFM-UHFFFAOYSA-N
XLogP6.91
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-heptyl-4-N-hexylbenzene-1,4-diamine
CID 143490838
4-N-nonyl-4-N-propylbenzene-1,4-diamine
CID 63532780
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
4-N-(4-aminophenyl)-4-N-[4-[bis[2-(diethylamino)ethyl]amino]butyl]benzene-1,4-diamine
CID 19003925
butane;N-octyl-N-phenylaniline
CID 175431375
(4-aminophenyl)-icosylcarbamic acid
CID 57279079
naphthalen-1-amine;N-nonyl-N-phenylaniline
CID 174946941
4-[3-[methyl(pentyl)amino]propyl]aniline
CID 113290597
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
benzene;N-octyl-N-phenylnaphthalen-2-amine
CID 174859594
4-N-(2-dodecoxyethyl)-4-N-methylbenzene-1,4-diamine
CID 89150752
4-[4-(dibutylamino)phenyl]aniline
CID 174369648

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine (CID 18942806) is 4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine is CCCCCCCCCCCCN(c1ccc(N)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine?
The InChIKey is KWSCOWQUHSLJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3/c1-2-3-4-5-6-7-8-9-10-11-20-27(23-16-12-21(25)13-17-23)24-18-14-22(26)15-19-24/h12-19H,2-11,20,25-26H2,1H3.
What are the key properties of 4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine?
4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine has a molecular weight of 367.58 g/mol, XLogP of 6.91, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-aminophenyl)-4-N-dodecylbenzene-1,4-diamine is sourced from PubChem (CID 18942806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).