2,6-diethyl-N-octylaniline

C18H31N — CID 63491055

IUPAC2,6-diethyl-N-octylaniline
SMILESCCCCCCCCNc1c(CC)cccc1CC
InChIInChI=1S/C18H31N/c1-4-7-8-9-10-11-15-19-18-16(5-2)13-12-14-17(18)6-3/h12-14,19H,4-11,15H2,1-3H3
InChIKeyXWDHJNUHQNCVHD-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.58
Rot. Bonds10

About 2,6-diethyl-N-octylaniline

2,6-diethyl-N-octylaniline (PubChem CID 63491055) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2,6-diethyl-N-octylaniline.

Molecular Properties

Compound Name2,6-diethyl-N-octylaniline
PubChem CID63491055
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2,6-diethyl-N-octylaniline
SMILESCCCCCCCCNc1c(CC)cccc1CC
InChIInChI=1S/C18H31N/c1-4-7-8-9-10-11-15-19-18-16(5-2)13-12-14-17(18)6-3/h12-14,19H,4-11,15H2,1-3H3
InChIKeyXWDHJNUHQNCVHD-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.58
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-(2,6-diethylanilino)butan-1-ol
CID 62327687
N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine
CID 18441585
2,6-dibromo-N-decylaniline
CID 107599083
2,3-bis(octylamino)phenol
CID 67224440
N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine
CID 54807025
2,6-diethyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409479
N'-[2-(2,6-diethylanilino)ethyl]-N-(2,6-diethylphenyl)-N'-methylethane-1,2-diamine;iron(2+);dichloride
CID 18441093
2-chloro-N-dodecyl-6-methylaniline
CID 66252343
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
N'-(2-ethyl-6-methylphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54810064
N'-[2-(2,6-diethylanilino)ethyl]-N-(2,6-diethylphenyl)-N'-methylethane-1,2-diamine;nickel(2+);dichloride
CID 18441097
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-N-octylaniline?
The IUPAC name of 2,6-diethyl-N-octylaniline (CID 63491055) is 2,6-diethyl-N-octylaniline.
What is the SMILES notation for 2,6-diethyl-N-octylaniline?
The canonical SMILES for 2,6-diethyl-N-octylaniline is CCCCCCCCNc1c(CC)cccc1CC.
What is the InChIKey of 2,6-diethyl-N-octylaniline?
The InChIKey is XWDHJNUHQNCVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-4-7-8-9-10-11-15-19-18-16(5-2)13-12-14-17(18)6-3/h12-14,19H,4-11,15H2,1-3H3.
What are the key properties of 2,6-diethyl-N-octylaniline?
2,6-diethyl-N-octylaniline has a molecular weight of 261.45 g/mol, XLogP of 5.58, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N-octylaniline is sourced from PubChem (CID 63491055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).