2-(dimethylamino)hexadecanoic acid;methoxymethane

C20H43NO3 — CID 175149537

IUPAC2-(dimethylamino)hexadecanoic acid;methoxymethane
SMILESCCCCCCCCCCCCCCC(C(=O)O)N(C)C.COC
InChIInChI=1S/C18H37NO2.C2H6O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(20)21)19(2)3;1-3-2/h17H,4-16H2,1-3H3,(H,20,21);1-2H3
InChIKeyPJJUDMABXYKHAC-UHFFFAOYSA-N
MW345.57 g/mol
LogP5.36
Rot. Bonds15

About 2-(dimethylamino)hexadecanoic acid;methoxymethane

2-(dimethylamino)hexadecanoic acid;methoxymethane (PubChem CID 175149537) has the molecular formula C20H43NO3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 2-(dimethylamino)hexadecanoic acid;methoxymethane.

Molecular Properties

Compound Name2-(dimethylamino)hexadecanoic acid;methoxymethane
PubChem CID175149537
Molecular FormulaC20H43NO3
Molecular Weight345.57 g/mol
Exact Mass345.32
IUPAC Name2-(dimethylamino)hexadecanoic acid;methoxymethane
SMILESCCCCCCCCCCCCCCC(C(=O)O)N(C)C.COC
InChIInChI=1S/C18H37NO2.C2H6O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(20)21)19(2)3;1-3-2/h17H,4-16H2,1-3H3,(H,20,21);1-2H3
InChIKeyPJJUDMABXYKHAC-UHFFFAOYSA-N
XLogP5.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 19101458
2-(dimethylamino)tetradecanoic acid;hydroiodide
CID 122684236
2-(dimethylamino)pentadecanoic acid;hydrochloride
CID 87499144
2-(dimethylamino)hexacosanoic acid;hydrobromide
CID 173436774
2-(dimethylamino)icosanoic acid;2-(dimethylamino)propanoic acid
CID 174688872
2-(dimethylamino)pentanoic acid;dodecan-1-amine
CID 172752605
2-(dimethylamino)-10-methylundecanoic acid
CID 154202442
2-[dodecyl(methyl)amino]icosanoic acid
CID 139370856
2-[acetyl(propyl)amino]octanoic acid
CID 63702958
2-(diethylamino)heptanoic acid
CID 43803668
2-[2-[1-carboxyheptyl(ethyl)amino]ethyl-ethylamino]octanoic acid
CID 100970199
2-(dimethylamino)tetradecanoate;trimethylazanium
CID 141413002

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)hexadecanoic acid;methoxymethane?
The IUPAC name of 2-(dimethylamino)hexadecanoic acid;methoxymethane (CID 175149537) is 2-(dimethylamino)hexadecanoic acid;methoxymethane.
What is the SMILES notation for 2-(dimethylamino)hexadecanoic acid;methoxymethane?
The canonical SMILES for 2-(dimethylamino)hexadecanoic acid;methoxymethane is CCCCCCCCCCCCCCC(C(=O)O)N(C)C.COC.
What is the InChIKey of 2-(dimethylamino)hexadecanoic acid;methoxymethane?
The InChIKey is PJJUDMABXYKHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2.C2H6O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(20)21)19(2)3;1-3-2/h17H,4-16H2,1-3H3,(H,20,21);1-2H3.
What are the key properties of 2-(dimethylamino)hexadecanoic acid;methoxymethane?
2-(dimethylamino)hexadecanoic acid;methoxymethane has a molecular weight of 345.57 g/mol, XLogP of 5.36, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)hexadecanoic acid;methoxymethane is sourced from PubChem (CID 175149537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).