4-dodecyl-6-methylbenzene-1,3-diamine

C19H34N2 — CID 70404899

IUPAC4-dodecyl-6-methylbenzene-1,3-diamine
SMILESCCCCCCCCCCCCc1cc(C)c(N)cc1N
InChIInChI=1S/C19H34N2/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-16(2)18(20)15-19(17)21/h14-15H,3-13,20-21H2,1-2H3
InChIKeyHKJZXAOFIOMJBM-UHFFFAOYSA-N
MW290.50 g/mol
LogP5.62
Rot. Bonds11

About 4-dodecyl-6-methylbenzene-1,3-diamine

4-dodecyl-6-methylbenzene-1,3-diamine (PubChem CID 70404899) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 4-dodecyl-6-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-dodecyl-6-methylbenzene-1,3-diamine
PubChem CID70404899
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name4-dodecyl-6-methylbenzene-1,3-diamine
SMILESCCCCCCCCCCCCc1cc(C)c(N)cc1N
InChIInChI=1S/C19H34N2/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-16(2)18(20)15-19(17)21/h14-15H,3-13,20-21H2,1-2H3
InChIKeyHKJZXAOFIOMJBM-UHFFFAOYSA-N
XLogP5.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-butyl-2-methylaniline
CID 130538000
2-(4-aminobutyl)-5-methylbenzene-1,4-diamine
CID 129127389
2-amino-5-methyl-4-nonylphenol
CID 139643471
1-bromo-4,5-dimethyl-2-pentylbenzene
CID 123510060
1-decyl-2,3,4,5-tetramethylbenzene
CID 150356555
3-methyl-4-octylaniline
CID 139523093
4-heptyl-2-methylaniline
CID 23348805
3-undecylnaphthalene-2,6-diamine
CID 150754371
5-chloro-2-dodecylaniline
CID 139793979
2-dodecyl-4-iodoaniline
CID 139793987
4-fluoro-2-heptylaniline
CID 67191637
5-ethyl-2-hexylaniline
CID 22065589

Frequently Asked Questions

What is the IUPAC name of 4-dodecyl-6-methylbenzene-1,3-diamine?
The IUPAC name of 4-dodecyl-6-methylbenzene-1,3-diamine (CID 70404899) is 4-dodecyl-6-methylbenzene-1,3-diamine.
What is the SMILES notation for 4-dodecyl-6-methylbenzene-1,3-diamine?
The canonical SMILES for 4-dodecyl-6-methylbenzene-1,3-diamine is CCCCCCCCCCCCc1cc(C)c(N)cc1N.
What is the InChIKey of 4-dodecyl-6-methylbenzene-1,3-diamine?
The InChIKey is HKJZXAOFIOMJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-16(2)18(20)15-19(17)21/h14-15H,3-13,20-21H2,1-2H3.
What are the key properties of 4-dodecyl-6-methylbenzene-1,3-diamine?
4-dodecyl-6-methylbenzene-1,3-diamine has a molecular weight of 290.50 g/mol, XLogP of 5.62, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecyl-6-methylbenzene-1,3-diamine is sourced from PubChem (CID 70404899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).