13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid

C17H31NO2 — CID 173462610

IUPAC13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid
SMILESCC(=CCCC(=O)O)CCC=C(C)CCCCN(C)C
InChIInChI=1S/C17H31NO2/c1-15(9-5-6-14-18(3)4)10-7-11-16(2)12-8-13-17(19)20/h10,12H,5-9,11,13-14H2,1-4H3,(H,19,20)
InChIKeyPHNABQAIRRWCQG-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.26
Rot. Bonds11

About 13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid

13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid (PubChem CID 173462610) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid.

Molecular Properties

Compound Name13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid
PubChem CID173462610
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid
SMILESCC(=CCCC(=O)O)CCC=C(C)CCCCN(C)C
InChIInChI=1S/C17H31NO2/c1-15(9-5-6-14-18(3)4)10-7-11-16(2)12-8-13-17(19)20/h10,12H,5-9,11,13-14H2,1-4H3,(H,19,20)
InChIKeyPHNABQAIRRWCQG-UHFFFAOYSA-N
XLogP4.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E,6E)-11-(dimethylamino)-3,7-dimethylundeca-2,6-dienyl]propanedioic acid
CID 88845440
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
13-(dimethylamino)-10-methyltridec-10-enamide
CID 173440462
(E)-5-methylhept-4-enoic acid
CID 83694352
(Z)-7-hydroxy-5-methylhept-4-enoic acid
CID 175085361
8,12-dimethylpentadeca-8,12,14-trienoic acid
CID 91146885
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782
N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283
(8E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 58369785
heptanoic acid;2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174641388
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
(4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid
CID 88846605

Frequently Asked Questions

What is the IUPAC name of 13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid?
The IUPAC name of 13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid (CID 173462610) is 13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid.
What is the SMILES notation for 13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid?
The canonical SMILES for 13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid is CC(=CCCC(=O)O)CCC=C(C)CCCCN(C)C.
What is the InChIKey of 13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid?
The InChIKey is PHNABQAIRRWCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-15(9-5-6-14-18(3)4)10-7-11-16(2)12-8-13-17(19)20/h10,12H,5-9,11,13-14H2,1-4H3,(H,19,20).
What are the key properties of 13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid?
13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid has a molecular weight of 281.44 g/mol, XLogP of 4.26, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid is sourced from PubChem (CID 173462610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).