2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile

C15H26N2 — CID 23266621

IUPAC2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile
SMILESCCN(/C=C/C(C)(C#N)CCC=C(C)C)CC
InChIInChI=1S/C15H26N2/c1-6-17(7-2)12-11-15(5,13-16)10-8-9-14(3)4/h9,11-12H,6-8,10H2,1-5H3/b12-11+
InChIKeyJBMSLPHHMYEJDL-VAWYXSNFSA-N
MW234.39 g/mol
LogP4.12
Rot. Bonds7

About 2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile

2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile (PubChem CID 23266621) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile.

Molecular Properties

Compound Name2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile
PubChem CID23266621
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile
SMILESCCN(/C=C/C(C)(C#N)CCC=C(C)C)CC
InChIInChI=1S/C15H26N2/c1-6-17(7-2)12-11-15(5,13-16)10-8-9-14(3)4/h9,11-12H,6-8,10H2,1-5H3/b12-11+
InChIKeyJBMSLPHHMYEJDL-VAWYXSNFSA-N
XLogP4.12
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile
CID 89309961
(1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine
CID 11042011
(3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine
CID 123394667
2-methylhex-2-ene;oxalonitrile
CID 174896444
6-methoxy-2,6-dimethylhept-2-ene
CID 14793993
2,6,9,13-tetramethyltetradeca-2,12-dien-7-yne-6,9-diol
CID 12009845
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol
CID 10966171
1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol
CID 139888264
(4R)-4,8-dimethylnon-7-en-4-ol
CID 90181485

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile?
The IUPAC name of 2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile (CID 23266621) is 2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile.
What is the SMILES notation for 2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile?
The canonical SMILES for 2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile is CCN(/C=C/C(C)(C#N)CCC=C(C)C)CC.
What is the InChIKey of 2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile?
The InChIKey is JBMSLPHHMYEJDL-VAWYXSNFSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-17(7-2)12-11-15(5,13-16)10-8-9-14(3)4/h9,11-12H,6-8,10H2,1-5H3/b12-11+.
What are the key properties of 2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile?
2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile has a molecular weight of 234.39 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(diethylamino)ethenyl]-2,6-dimethylhept-5-enenitrile is sourced from PubChem (CID 23266621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).