2,6-diethyl-N-prop-2-enylaniline

C13H19N — CID 62328023

IUPAC2,6-diethyl-N-prop-2-enylaniline
SMILESC=CCNc1c(CC)cccc1CC
InChIInChI=1S/C13H19N/c1-4-10-14-13-11(5-2)8-7-9-12(13)6-3/h4,7-9,14H,1,5-6,10H2,2-3H3
InChIKeyIRQLPTPRXYEDKU-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.41
Rot. Bonds5

About 2,6-diethyl-N-prop-2-enylaniline

2,6-diethyl-N-prop-2-enylaniline (PubChem CID 62328023) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,6-diethyl-N-prop-2-enylaniline.

Molecular Properties

Compound Name2,6-diethyl-N-prop-2-enylaniline
PubChem CID62328023
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2,6-diethyl-N-prop-2-enylaniline
SMILESC=CCNc1c(CC)cccc1CC
InChIInChI=1S/C13H19N/c1-4-10-14-13-11(5-2)8-7-9-12(13)6-3/h4,7-9,14H,1,5-6,10H2,2-3H3
InChIKeyIRQLPTPRXYEDKU-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine
CID 12975599
3-N-(2-ethyl-6-methylphenyl)-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939584
N'-[2-(2,6-diethylanilino)ethyl]-N-(2,6-diethylphenyl)-N'-methylethane-1,2-diamine;iron(2+);dichloride
CID 18441093
ethyl (E)-4-(2,6-diethylanilino)but-2-enoate
CID 80547769
N'-[2-(2,6-diethylanilino)ethyl]-N-(2,6-diethylphenyl)-N'-methylethane-1,2-diamine;nickel(2+);dichloride
CID 18441097
2,6-diethyl-N-octylaniline
CID 63491055
1-(2,6-diethylphenyl)-3-[(E)-3,3-dimethylbut-1-enyl]urea
CID 108911333
N'-chloro-N'-[(2,6-diethylanilino)methyl]-N-(2,6-diethylphenyl)ethane-1,2-diamine
CID 87161674
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553
4-(2,6-diethylanilino)butan-1-ol
CID 62327687
2,6-diethyl-N-[(4-methylphenyl)methyl]aniline
CID 63492108
1-(2,6-diethylanilino)-2-methylbutan-2-ol
CID 114493054

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-N-prop-2-enylaniline?
The IUPAC name of 2,6-diethyl-N-prop-2-enylaniline (CID 62328023) is 2,6-diethyl-N-prop-2-enylaniline.
What is the SMILES notation for 2,6-diethyl-N-prop-2-enylaniline?
The canonical SMILES for 2,6-diethyl-N-prop-2-enylaniline is C=CCNc1c(CC)cccc1CC.
What is the InChIKey of 2,6-diethyl-N-prop-2-enylaniline?
The InChIKey is IRQLPTPRXYEDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-10-14-13-11(5-2)8-7-9-12(13)6-3/h4,7-9,14H,1,5-6,10H2,2-3H3.
What are the key properties of 2,6-diethyl-N-prop-2-enylaniline?
2,6-diethyl-N-prop-2-enylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-N-prop-2-enylaniline is sourced from PubChem (CID 62328023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).