dodecanoic acid;N-propoxyethanamine

C17H37NO3 — CID 174925397

IUPACdodecanoic acid;N-propoxyethanamine
SMILESCCCCCCCCCCCC(=O)O.CCCONCC
InChIInChI=1S/C12H24O2.C5H13NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-7-6-4-2/h2-11H2,1H3,(H,13,14);6H,3-5H2,1-2H3
InChIKeyHLYQTKZIINLNSS-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.93
Rot. Bonds14

About dodecanoic acid;N-propoxyethanamine

dodecanoic acid;N-propoxyethanamine (PubChem CID 174925397) has the molecular formula C17H37NO3 and a molecular weight of 303.49 g/mol. Its IUPAC name is dodecanoic acid;N-propoxyethanamine.

Molecular Properties

Compound Namedodecanoic acid;N-propoxyethanamine
PubChem CID174925397
Molecular FormulaC17H37NO3
Molecular Weight303.49 g/mol
Exact Mass303.28
IUPAC Namedodecanoic acid;N-propoxyethanamine
SMILESCCCCCCCCCCCC(=O)O.CCCONCC
InChIInChI=1S/C12H24O2.C5H13NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-7-6-4-2/h2-11H2,1H3,(H,13,14);6H,3-5H2,1-2H3
InChIKeyHLYQTKZIINLNSS-UHFFFAOYSA-N
XLogP4.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.93
H-Bond Donors ≤ 52
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

CID 57488644
CID 57488644
15-pentoxypentadecanoic acid
CID 89280169
diazanium;octadecanoic acid;hydroxide
CID 22561396
decanedioic acid;dodecane
CID 159822517
dodecanoic acid
CID 158803546
decanoic acid;pentadecanoic acid
CID 157343657
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096

Frequently Asked Questions

What is the IUPAC name of dodecanoic acid;N-propoxyethanamine?
The IUPAC name of dodecanoic acid;N-propoxyethanamine (CID 174925397) is dodecanoic acid;N-propoxyethanamine.
What is the SMILES notation for dodecanoic acid;N-propoxyethanamine?
The canonical SMILES for dodecanoic acid;N-propoxyethanamine is CCCCCCCCCCCC(=O)O.CCCONCC.
What is the InChIKey of dodecanoic acid;N-propoxyethanamine?
The InChIKey is HLYQTKZIINLNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C5H13NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-7-6-4-2/h2-11H2,1H3,(H,13,14);6H,3-5H2,1-2H3.
What are the key properties of dodecanoic acid;N-propoxyethanamine?
dodecanoic acid;N-propoxyethanamine has a molecular weight of 303.49 g/mol, XLogP of 4.93, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoic acid;N-propoxyethanamine is sourced from PubChem (CID 174925397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).