2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile

C15H26N2 — CID 74039330

IUPAC2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile
SMILESCCN(CC)C(C#N)C=C(C)CCC=C(C)C
InChIInChI=1S/C15H26N2/c1-6-17(7-2)15(12-16)11-14(5)10-8-9-13(3)4/h9,11,15H,6-8,10H2,1-5H3
InChIKeyXTTVGEFSYGRCBT-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.91
Rot. Bonds7

About 2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile

2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile (PubChem CID 74039330) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile.

Molecular Properties

Compound Name2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile
PubChem CID74039330
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile
SMILESCCN(CC)C(C#N)C=C(C)CCC=C(C)C
InChIInChI=1S/C15H26N2/c1-6-17(7-2)15(12-16)11-14(5)10-8-9-13(3)4/h9,11,15H,6-8,10H2,1-5H3
InChIKeyXTTVGEFSYGRCBT-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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

(6E)-8-ethyl-2,6-dimethyldeca-2,6-diene
CID 174724877
(2S,3E)-2-[(E,1R)-1-hydroxybut-2-enyl]-4,8-dimethylnona-3,7-dienenitrile
CID 11806573
(3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile
CID 10868752
(2E)-3,7-dimethyl(413C)octa-2,6-dienenitrile
CID 10796920
(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal
CID 6433322
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
(3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile
CID 12781848
(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
2-[(2Z)-3,7-dimethylocta-2,6-dienylidene]propanedinitrile
CID 21159982
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
2-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]propanedinitrile
CID 11053838
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile?
The IUPAC name of 2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile (CID 74039330) is 2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile.
What is the SMILES notation for 2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile?
The canonical SMILES for 2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile is CCN(CC)C(C#N)C=C(C)CCC=C(C)C.
What is the InChIKey of 2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile?
The InChIKey is XTTVGEFSYGRCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-6-17(7-2)15(12-16)11-14(5)10-8-9-13(3)4/h9,11,15H,6-8,10H2,1-5H3.
What are the key properties of 2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile?
2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile has a molecular weight of 234.39 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4,8-dimethylnona-3,7-dienenitrile is sourced from PubChem (CID 74039330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).