dodecanoic acid;2-(methylamino)ethanol

C15H33NO3 — CID 11500072

IUPACdodecanoic acid;2-(methylamino)ethanol
SMILESCCCCCCCCCCCC(=O)O.CNCCO
InChIInChI=1S/C12H24O2.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-2-3-5/h2-11H2,1H3,(H,13,14);4-5H,2-3H2,1H3
InChIKeyGZMNUUPMKZPUGJ-UHFFFAOYSA-N
MW275.43 g/mol
LogP3.19
Rot. Bonds12

About dodecanoic acid;2-(methylamino)ethanol

dodecanoic acid;2-(methylamino)ethanol (PubChem CID 11500072) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is dodecanoic acid;2-(methylamino)ethanol.

Molecular Properties

Compound Namedodecanoic acid;2-(methylamino)ethanol
PubChem CID11500072
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Namedodecanoic acid;2-(methylamino)ethanol
SMILESCCCCCCCCCCCC(=O)O.CNCCO
InChIInChI=1S/C12H24O2.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-2-3-5/h2-11H2,1H3,(H,13,14);4-5H,2-3H2,1H3
InChIKeyGZMNUUPMKZPUGJ-UHFFFAOYSA-N
XLogP3.19
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 53.19
H-Bond Donors ≤ 53
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 173175224
docosanoic acid;N-methylmethanamine
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CID 57488644
CID 57488644
docosanoic acid;N,N',N'-trimethylpropane-1,3-diamine
CID 172819174
dodecanoic acid;hexadecan-1-ol;octadecane
CID 175592035
butanedioic acid;decanoic acid;ethane-1,2-diol
CID 174941977
heptanoic acid;bis(octadecan-1-ol);octanoic acid
CID 175488622
dodecane-1,12-diol;dodecanoic acid
CID 87364102
18-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989364
cobalt;bis(hexadecanoic acid);zinc
CID 173044903
cobalt;decanoic acid;iron
CID 175283940

Frequently Asked Questions

What is the IUPAC name of dodecanoic acid;2-(methylamino)ethanol?
The IUPAC name of dodecanoic acid;2-(methylamino)ethanol (CID 11500072) is dodecanoic acid;2-(methylamino)ethanol.
What is the SMILES notation for dodecanoic acid;2-(methylamino)ethanol?
The canonical SMILES for dodecanoic acid;2-(methylamino)ethanol is CCCCCCCCCCCC(=O)O.CNCCO.
What is the InChIKey of dodecanoic acid;2-(methylamino)ethanol?
The InChIKey is GZMNUUPMKZPUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C3H9NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4-2-3-5/h2-11H2,1H3,(H,13,14);4-5H,2-3H2,1H3.
What are the key properties of dodecanoic acid;2-(methylamino)ethanol?
dodecanoic acid;2-(methylamino)ethanol has a molecular weight of 275.43 g/mol, XLogP of 3.19, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoic acid;2-(methylamino)ethanol is sourced from PubChem (CID 11500072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).