(E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine

C22H30N2 — CID 12975599

IUPAC(E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine
SMILESCCc1cccc(CC)c1N/C=C/Nc1c(CC)cccc1CC
InChIInChI=1S/C22H30N2/c1-5-17-11-9-12-18(6-2)21(17)23-15-16-24-22-19(7-3)13-10-14-20(22)8-4/h9-16,23-24H,5-8H2,1-4H3/b16-15+
InChIKeyNYOPWVJORURFRX-FOCLMDBBSA-N
MW322.50 g/mol
LogP5.93
Rot. Bonds8

About (E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine

(E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine (PubChem CID 12975599) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is (E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine
PubChem CID12975599
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name(E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine
SMILESCCc1cccc(CC)c1N/C=C/Nc1c(CC)cccc1CC
InChIInChI=1S/C22H30N2/c1-5-17-11-9-12-18(6-2)21(17)23-15-16-24-22-19(7-3)13-10-14-20(22)8-4/h9-16,23-24H,5-8H2,1-4H3/b16-15+
InChIKeyNYOPWVJORURFRX-FOCLMDBBSA-N
XLogP5.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-diethyl-N-prop-2-enylaniline
CID 62328023
N-(2-ethyl-6-methylphenyl)-N'-methylmethanimidamide
CID 12768124
2,6-diethyl-N-phenylaniline
CID 45095580
(Z)-N'-(2,6-diethylphenyl)-1-(2-methylphenyl)ethene-1,2-diamine
CID 126680511
1-(2,6-diethylphenyl)-2-phenylhydrazine
CID 19899251
2-ethyl-6-fluoro-N-methylaniline
CID 22769633
(E)-1-(4-chlorophenyl)-3-(2-ethyl-6-methylanilino)prop-2-en-1-one
CID 39346456
[2-(chloromethyl)-6-ethylphenyl]hydrazine
CID 131028347
N-dihydroxyphosphinothioyl-2,6-diethylaniline
CID 88778381
(E)-N,N'-bis(2-ethyl-6-methylphenyl)but-2-enediamide
CID 17407260
2-cyano-N-(2,6-diethylphenyl)acetamide
CID 2380490
3-[(2,6-diethylanilino)methyl]-2-fluorobenzonitrile
CID 107114552

Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine?
The IUPAC name of (E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine (CID 12975599) is (E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine.
What is the SMILES notation for (E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine?
The canonical SMILES for (E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine is CCc1cccc(CC)c1N/C=C/Nc1c(CC)cccc1CC.
What is the InChIKey of (E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine?
The InChIKey is NYOPWVJORURFRX-FOCLMDBBSA-N. The full InChI is InChI=1S/C22H30N2/c1-5-17-11-9-12-18(6-2)21(17)23-15-16-24-22-19(7-3)13-10-14-20(22)8-4/h9-16,23-24H,5-8H2,1-4H3/b16-15+.
What are the key properties of (E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine?
(E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine has a molecular weight of 322.50 g/mol, XLogP of 5.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine is sourced from PubChem (CID 12975599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).