2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine

C12H19N — CID 142719154

IUPAC2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine
SMILESCCC1=CCC(C=CN)(CC)C=C1
InChIInChI=1S/C12H19N/c1-3-11-5-7-12(4-2,8-6-11)9-10-13/h5-7,9-10H,3-4,8,13H2,1-2H3
InChIKeyHHVDIYFAYKUDOD-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.15
Rot. Bonds3

About 2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine

2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine (PubChem CID 142719154) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine.

Molecular Properties

Compound Name2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine
PubChem CID142719154
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine
SMILESCCC1=CCC(C=CN)(CC)C=C1
InChIInChI=1S/C12H19N/c1-3-11-5-7-12(4-2,8-6-11)9-10-13/h5-7,9-10H,3-4,8,13H2,1-2H3
InChIKeyHHVDIYFAYKUDOD-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-diethylcyclohexa-2,4-dien-1-ol
CID 67887745
5-bromo-2-ethyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 162538886
1-(4-ethyl-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine
CID 166883315
2,5-dibutyl-5-ethenylcyclohexa-1,3-diene
CID 141421761
bis(1,4-diethylcyclohexa-2,4-dien-1-yl) 7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 142747892
(4-ethyl-4-formylcyclohexa-1,5-dien-1-yl) acetate
CID 143004677
5-ethyl-5-methyl-2-(2-methylpropyl)cyclohexa-1,3-diene
CID 173459403
2-ethyl-5,5-dimethylcyclopenta-1,3-diene
CID 572140
2-(1-ethylcyclohexa-2,4-dien-1-yl)ethenol
CID 141230573
2-[4-[2-amino-2-[3-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]ethenyl]-4-(2-hydroxyethyl)cyclohexa-1,5-dien-1-yl]ethanol bromide
CID 158245108
6,6-diamino-3-ethylcyclohexa-2,4-dien-1-ol
CID 150354551
2-benzyl-5-ethyl-5-phenylcyclohexa-1,3-diene
CID 19420156

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine?
The IUPAC name of 2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine (CID 142719154) is 2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine.
What is the SMILES notation for 2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine?
The canonical SMILES for 2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine is CCC1=CCC(C=CN)(CC)C=C1.
What is the InChIKey of 2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine?
The InChIKey is HHVDIYFAYKUDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-3-11-5-7-12(4-2,8-6-11)9-10-13/h5-7,9-10H,3-4,8,13H2,1-2H3.
What are the key properties of 2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine?
2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine has a molecular weight of 177.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diethylcyclohexa-2,4-dien-1-yl)ethenamine is sourced from PubChem (CID 142719154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).