[2-(dimethylamino)-3-pyridinyl] octanoate

C15H24N2O2 — CID 154635229

IUPAC[2-(dimethylamino)-3-pyridinyl] octanoate
SMILESCCCCCCCC(=O)Oc1cccnc1N(C)C
InChIInChI=1S/C15H24N2O2/c1-4-5-6-7-8-11-14(18)19-13-10-9-12-16-15(13)17(2)3/h9-10,12H,4-8,11H2,1-3H3
InChIKeyJGUWSGWAGKQJMS-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.41
Rot. Bonds8

About [2-(dimethylamino)-3-pyridinyl] octanoate

[2-(dimethylamino)-3-pyridinyl] octanoate (PubChem CID 154635229) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [2-(dimethylamino)-3-pyridinyl] octanoate.

Molecular Properties

Compound Name[2-(dimethylamino)-3-pyridinyl] octanoate
PubChem CID154635229
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[2-(dimethylamino)-3-pyridinyl] octanoate
SMILESCCCCCCCC(=O)Oc1cccnc1N(C)C
InChIInChI=1S/C15H24N2O2/c1-4-5-6-7-8-11-14(18)19-13-10-9-12-16-15(13)17(2)3/h9-10,12H,4-8,11H2,1-3H3
InChIKeyJGUWSGWAGKQJMS-UHFFFAOYSA-N
XLogP3.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-nonanoyloxyphenyl) undecanoate
CID 90023956
(2-pentanoyloxyphenyl) hexanoate
CID 90024108
[2,3-di(octadecanoyloxy)phenyl] octadecanoate
CID 172679965
(2,3-dihydroxyphenyl) octanoate
CID 174963851
(2-methoxyphenyl) octanoate
CID 68908014
(2-methoxyphenyl) dodecanoate
CID 139927041
[2-(3-methylpyridine-2-carbonyl)phenyl] hexanoate
CID 170564670
(2-octanoyloxyphenyl) 7-ethylnonanoate
CID 90024672
(2-nonanoyloxyphenyl) 9-ethylundecanoate
CID 90023921
pyridin-2-yl hexadecanoate;hydrochloride
CID 70209736
(2-heptanoyloxy-3-octoxyphenyl) heptanoate
CID 90024985
(2-butylphenyl) heptanoate
CID 174752074

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-3-pyridinyl] octanoate?
The IUPAC name of [2-(dimethylamino)-3-pyridinyl] octanoate (CID 154635229) is [2-(dimethylamino)-3-pyridinyl] octanoate.
What is the SMILES notation for [2-(dimethylamino)-3-pyridinyl] octanoate?
The canonical SMILES for [2-(dimethylamino)-3-pyridinyl] octanoate is CCCCCCCC(=O)Oc1cccnc1N(C)C.
What is the InChIKey of [2-(dimethylamino)-3-pyridinyl] octanoate?
The InChIKey is JGUWSGWAGKQJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-5-6-7-8-11-14(18)19-13-10-9-12-16-15(13)17(2)3/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of [2-(dimethylamino)-3-pyridinyl] octanoate?
[2-(dimethylamino)-3-pyridinyl] octanoate has a molecular weight of 264.37 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-3-pyridinyl] octanoate is sourced from PubChem (CID 154635229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).