3-(3-aminopropyl)decanoic acid

C13H27NO2 — CID 21259292

IUPAC3-(3-aminopropyl)decanoic acid
SMILESCCCCCCCC(CCCN)CC(=O)O
InChIInChI=1S/C13H27NO2/c1-2-3-4-5-6-8-12(9-7-10-14)11-13(15)16/h12H,2-11,14H2,1H3,(H,15,16)
InChIKeyUAWYHAKIJNYVIM-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.18
Rot. Bonds11

About 3-(3-aminopropyl)decanoic acid

3-(3-aminopropyl)decanoic acid (PubChem CID 21259292) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-(3-aminopropyl)decanoic acid.

Molecular Properties

Compound Name3-(3-aminopropyl)decanoic acid
PubChem CID21259292
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-(3-aminopropyl)decanoic acid
SMILESCCCCCCCC(CCCN)CC(=O)O
InChIInChI=1S/C13H27NO2/c1-2-3-4-5-6-8-12(9-7-10-14)11-13(15)16/h12H,2-11,14H2,1H3,(H,15,16)
InChIKeyUAWYHAKIJNYVIM-UHFFFAOYSA-N
XLogP3.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-tetradecyloctadecanoic acid
CID 18954670
3-heptylpentanedioic acid
CID 14574131
3-(2-hydroxyethyl)nonanoic acid
CID 87790478
(3S)-3-(hydroxymethyl)decanoic acid
CID 88616770
3-ethylhexadecanoic acid
CID 14298660
hexane-2,5-diol;3-hexylundecanoic acid
CID 87784320
3-(4-aminobutyl)dodecanoate
CID 21259403
4-hexylundecan-1-amine
CID 167174040
4-heptylundecan-1-amine
CID 146490531
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;tris(3-octyltridecanoic acid)
CID 159954799
3-decylpentadecanoic acid;2,2-dimethylpropane-1,3-diol
CID 87784731
bis(3-ethyloctanoic acid);nickel
CID 176656697

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)decanoic acid?
The IUPAC name of 3-(3-aminopropyl)decanoic acid (CID 21259292) is 3-(3-aminopropyl)decanoic acid.
What is the SMILES notation for 3-(3-aminopropyl)decanoic acid?
The canonical SMILES for 3-(3-aminopropyl)decanoic acid is CCCCCCCC(CCCN)CC(=O)O.
What is the InChIKey of 3-(3-aminopropyl)decanoic acid?
The InChIKey is UAWYHAKIJNYVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-3-4-5-6-8-12(9-7-10-14)11-13(15)16/h12H,2-11,14H2,1H3,(H,15,16).
What are the key properties of 3-(3-aminopropyl)decanoic acid?
3-(3-aminopropyl)decanoic acid has a molecular weight of 229.36 g/mol, XLogP of 3.18, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)decanoic acid is sourced from PubChem (CID 21259292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).