(dibutylamino) 10-methyldodecanoate

C21H43NO2 — CID 88836236

IUPAC(dibutylamino) 10-methyldodecanoate
SMILESCCCCN(CCCC)OC(=O)CCCCCCCCC(C)CC
InChIInChI=1S/C21H43NO2/c1-5-8-18-22(19-9-6-2)24-21(23)17-15-13-11-10-12-14-16-20(4)7-3/h20H,5-19H2,1-4H3
InChIKeyFOGOQEJDRFIZRI-UHFFFAOYSA-N
MW341.58 g/mol
LogP6.51
Rot. Bonds17

About (dibutylamino) 10-methyldodecanoate

(dibutylamino) 10-methyldodecanoate (PubChem CID 88836236) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is (dibutylamino) 10-methyldodecanoate.

Molecular Properties

Compound Name(dibutylamino) 10-methyldodecanoate
PubChem CID88836236
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC Name(dibutylamino) 10-methyldodecanoate
SMILESCCCCN(CCCC)OC(=O)CCCCCCCCC(C)CC
InChIInChI=1S/C21H43NO2/c1-5-8-18-22(19-9-6-2)24-21(23)17-15-13-11-10-12-14-16-20(4)7-3/h20H,5-19H2,1-4H3
InChIKeyFOGOQEJDRFIZRI-UHFFFAOYSA-N
XLogP6.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 56.51
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

(dioctylamino) 9-ethylundecanoate
CID 178167166
8-methyldecanoyl 8-methyldecanoate
CID 175714678
methyl 23-methylpentacosanoate
CID 15047975
methyl (18R)-18-methylicosanoate
CID 102237844
methyl 11-methyltridecanoate
CID 14122942
hexadecyl 12-methyltetradecanoate
CID 134812024
tricosyl 12-methyltetradecanoate
CID 134812031
[(2S)-2-hydroxy-3-tetradecanoyloxypropyl] 14-methylhexadecanoate
CID 131799700
[(2R)-2-hydroxy-3-(12-methyltetradecanoyloxy)propyl] hexadecanoate
CID 131799820
[(2R)-2-hydroxy-3-(14-methylhexadecanoyloxy)propyl] nonadecanoate
CID 131800137
[(2R)-2-hydroxy-3-pentadecanoyloxypropyl] 14-methylhexadecanoate
CID 131800082
[(2S)-2-hydroxy-3-(10-methyldodecanoyloxy)propyl] nonadecanoate
CID 131800330

Frequently Asked Questions

What is the IUPAC name of (dibutylamino) 10-methyldodecanoate?
The IUPAC name of (dibutylamino) 10-methyldodecanoate (CID 88836236) is (dibutylamino) 10-methyldodecanoate.
What is the SMILES notation for (dibutylamino) 10-methyldodecanoate?
The canonical SMILES for (dibutylamino) 10-methyldodecanoate is CCCCN(CCCC)OC(=O)CCCCCCCCC(C)CC.
What is the InChIKey of (dibutylamino) 10-methyldodecanoate?
The InChIKey is FOGOQEJDRFIZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-5-8-18-22(19-9-6-2)24-21(23)17-15-13-11-10-12-14-16-20(4)7-3/h20H,5-19H2,1-4H3.
What are the key properties of (dibutylamino) 10-methyldodecanoate?
(dibutylamino) 10-methyldodecanoate has a molecular weight of 341.58 g/mol, XLogP of 6.51, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (dibutylamino) 10-methyldodecanoate is sourced from PubChem (CID 88836236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).