N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine

C15H26N2 — CID 54807025

IUPACN-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine
SMILESCCCCNCCNc1c(C)cccc1CC
InChIInChI=1S/C15H26N2/c1-4-6-10-16-11-12-17-15-13(3)8-7-9-14(15)5-2/h7-9,16-17H,4-6,10-12H2,1-3H3
InChIKeyDOLGVCFXWRFWSG-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.36
Rot. Bonds8

About N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine

N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine (PubChem CID 54807025) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine
PubChem CID54807025
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine
SMILESCCCCNCCNc1c(C)cccc1CC
InChIInChI=1S/C15H26N2/c1-4-6-10-16-11-12-17-15-13(3)8-7-9-14(15)5-2/h7-9,16-17H,4-6,10-12H2,1-3H3
InChIKeyDOLGVCFXWRFWSG-UHFFFAOYSA-N
XLogP3.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54809654
N-[2-(2,6-diethylanilino)ethyl]-N'-(2,6-diethylphenyl)propane-1,3-diamine
CID 18441585
N-butyl-3-(2-ethyl-6-methylanilino)propanamide
CID 109012269
N'-(2,6-dimethylphenyl)-N-propylethane-1,2-diamine
CID 54809643
N'-(2-ethyl-6-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809826
N'-(2-ethyl-6-methylphenyl)-N-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54810064
2-ethyl-6-methyl-N-(3-phenylpropyl)aniline
CID 39356754
2,6-diethyl-N-octylaniline
CID 63491055
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345
N'-(2-ethyl-6-methylphenyl)-N-(2-methoxyphenyl)ethane-1,2-diamine
CID 54810086
2-ethyl-N-[3-(4-ethylphenoxy)propyl]-6-methylaniline
CID 82096293
N-butyl-4-[[2-(2-ethyl-6-methylanilino)acetyl]amino]benzamide
CID 54819409

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine (CID 54807025) is N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine is CCCCNCCNc1c(C)cccc1CC.
What is the InChIKey of N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine?
The InChIKey is DOLGVCFXWRFWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-6-10-16-11-12-17-15-13(3)8-7-9-14(15)5-2/h7-9,16-17H,4-6,10-12H2,1-3H3.
What are the key properties of N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine?
N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(2-ethyl-6-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54807025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).