3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid

C16H29NO2 — CID 57160864

IUPAC3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCCC(C)=CC(CCN(C)C)CC(=O)O
InChIInChI=1S/C16H29NO2/c1-13(2)7-6-8-14(3)11-15(12-16(18)19)9-10-17(4)5/h7,11,15H,6,8-10,12H2,1-5H3,(H,18,19)
InChIKeyZCAXSYKEKUREKM-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.72
Rot. Bonds9

About 3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid

3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid (PubChem CID 57160864) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid
PubChem CID57160864
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCCC(C)=CC(CCN(C)C)CC(=O)O
InChIInChI=1S/C16H29NO2/c1-13(2)7-6-8-14(3)11-15(12-16(18)19)9-10-17(4)5/h7,11,15H,6,8-10,12H2,1-5H3,(H,18,19)
InChIKeyZCAXSYKEKUREKM-UHFFFAOYSA-N
XLogP3.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid (CID 57160864) is 3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid is CC(C)=CCCC(C)=CC(CCN(C)C)CC(=O)O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid?
The InChIKey is ZCAXSYKEKUREKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13(2)7-6-8-14(3)11-15(12-16(18)19)9-10-17(4)5/h7,11,15H,6,8-10,12H2,1-5H3,(H,18,19).
What are the key properties of 3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid?
3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid has a molecular weight of 267.41 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid is sourced from PubChem (CID 57160864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).