(3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane

C15H26N2 — CID 142172277

IUPAC(3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane
SMILESC=C/C(=C\C=C/C)C(C#N)CCN(C)C.CC
InChIInChI=1S/C13H20N2.C2H6/c1-5-7-8-12(6-2)13(11-14)9-10-15(3)4;1-2/h5-8,13H,2,9-10H2,1,3-4H3;1-2H3/b7-5-,12-8+;
InChIKeyGYEXLFQQBOMUIM-LOLBUNACSA-N
MW234.39 g/mol
LogP3.79
Rot. Bonds6

About (3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane

(3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane (PubChem CID 142172277) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane.

Molecular Properties

Compound Name(3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane
PubChem CID142172277
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane
SMILESC=C/C(=C\C=C/C)C(C#N)CCN(C)C.CC
InChIInChI=1S/C13H20N2.C2H6/c1-5-7-8-12(6-2)13(11-14)9-10-15(3)4;1-2/h5-8,13H,2,9-10H2,1,3-4H3;1-2H3/b7-5-,12-8+;
InChIKeyGYEXLFQQBOMUIM-LOLBUNACSA-N
XLogP3.79
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane?
The IUPAC name of (3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane (CID 142172277) is (3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane.
What is the SMILES notation for (3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane?
The canonical SMILES for (3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane is C=C/C(=C\C=C/C)C(C#N)CCN(C)C.CC.
What is the InChIKey of (3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane?
The InChIKey is GYEXLFQQBOMUIM-LOLBUNACSA-N. The full InChI is InChI=1S/C13H20N2.C2H6/c1-5-7-8-12(6-2)13(11-14)9-10-15(3)4;1-2/h5-8,13H,2,9-10H2,1,3-4H3;1-2H3/b7-5-,12-8+;.
What are the key properties of (3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane?
(3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane has a molecular weight of 234.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2-[2-(dimethylamino)ethyl]-3-ethenylhepta-3,5-dienenitrile;ethane is sourced from PubChem (CID 142172277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).