3-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid

C19H35NO2 — CID 57047600

IUPAC3-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid
SMILESCCN(CC)CCCC(C=C(C)CCC=C(C)C)CC(=O)O
InChIInChI=1S/C19H35NO2/c1-6-20(7-2)13-9-12-18(15-19(21)22)14-17(5)11-8-10-16(3)4/h10,14,18H,6-9,11-13,15H2,1-5H3,(H,21,22)
InChIKeyWMVHOZQVLQKWCG-UHFFFAOYSA-N
MW309.49 g/mol
LogP4.89
Rot. Bonds12

About 3-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid

3-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid (PubChem CID 57047600) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid
PubChem CID57047600
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Name3-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid
SMILESCCN(CC)CCCC(C=C(C)CCC=C(C)C)CC(=O)O
InChIInChI=1S/C19H35NO2/c1-6-20(7-2)13-9-12-18(15-19(21)22)14-17(5)11-8-10-16(3)4/h10,14,18H,6-9,11-13,15H2,1-5H3,(H,21,22)
InChIKeyWMVHOZQVLQKWCG-UHFFFAOYSA-N
XLogP4.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.89
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-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid?
The IUPAC name of 3-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid (CID 57047600) is 3-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid.
What is the SMILES notation for 3-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid?
The canonical SMILES for 3-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid is CCN(CC)CCCC(C=C(C)CCC=C(C)C)CC(=O)O.
What is the InChIKey of 3-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid?
The InChIKey is WMVHOZQVLQKWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2/c1-6-20(7-2)13-9-12-18(15-19(21)22)14-17(5)11-8-10-16(3)4/h10,14,18H,6-9,11-13,15H2,1-5H3,(H,21,22).
What are the key properties of 3-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid?
3-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid has a molecular weight of 309.49 g/mol, XLogP of 4.89, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl]-5,9-dimethyldeca-4,8-dienoic acid is sourced from PubChem (CID 57047600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).