dimethylamino pentadecanoate

C17H35NO2 — CID 57147620

IUPACdimethylamino pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)ON(C)C
InChIInChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)20-18(2)3/h4-16H2,1-3H3
InChIKeyKYGYGJVXHWDOBG-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.10
Rot. Bonds14

About dimethylamino pentadecanoate

dimethylamino pentadecanoate (PubChem CID 57147620) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is dimethylamino pentadecanoate.

Molecular Properties

Compound Namedimethylamino pentadecanoate
PubChem CID57147620
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Namedimethylamino pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)ON(C)C
InChIInChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)20-18(2)3/h4-16H2,1-3H3
InChIKeyKYGYGJVXHWDOBG-UHFFFAOYSA-N
XLogP5.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxyethyl(methyl)amino] octanoate
CID 175189868
stibanyl heptanoate
CID 174839221
azane;dimethylamino 5-aminopentanoate
CID 174441073
pentadecanoyl hexadecanoate
CID 87499774
henicosanoyl docosanoate
CID 175302110
heptadecanoyl heptadecaneperoxoate
CID 53438513
ditetradecanoyl hexanedioate
CID 175560209
heptanoyl octaneperoxoate
CID 142686679
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
octanoyl tridecaneperoxoate
CID 141014591
[bis(1-hydroxyethyl)amino] dodecanoate
CID 57192551

Frequently Asked Questions

What is the IUPAC name of dimethylamino pentadecanoate?
The IUPAC name of dimethylamino pentadecanoate (CID 57147620) is dimethylamino pentadecanoate.
What is the SMILES notation for dimethylamino pentadecanoate?
The canonical SMILES for dimethylamino pentadecanoate is CCCCCCCCCCCCCCC(=O)ON(C)C.
What is the InChIKey of dimethylamino pentadecanoate?
The InChIKey is KYGYGJVXHWDOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)20-18(2)3/h4-16H2,1-3H3.
What are the key properties of dimethylamino pentadecanoate?
dimethylamino pentadecanoate has a molecular weight of 285.47 g/mol, XLogP of 5.10, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino pentadecanoate is sourced from PubChem (CID 57147620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).