decan-1-amine;dodecanoic acid

C22H47NO2 — CID 173305256

IUPACdecan-1-amine;dodecanoic acid
SMILESCCCCCCCCCCCC(=O)O.CCCCCCCCCCN
InChIInChI=1S/C12H24O2.C10H23N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3,(H,13,14);2-11H2,1H3
InChIKeySLLJXTNCXSFGFZ-UHFFFAOYSA-N
MW357.62 g/mol
LogP7.08
Rot. Bonds18

About decan-1-amine;dodecanoic acid

decan-1-amine;dodecanoic acid (PubChem CID 173305256) has the molecular formula C22H47NO2 and a molecular weight of 357.62 g/mol. Its IUPAC name is decan-1-amine;dodecanoic acid.

Molecular Properties

Compound Namedecan-1-amine;dodecanoic acid
PubChem CID173305256
Molecular FormulaC22H47NO2
Molecular Weight357.62 g/mol
Exact Mass357.36
IUPAC Namedecan-1-amine;dodecanoic acid
SMILESCCCCCCCCCCCC(=O)O.CCCCCCCCCCN
InChIInChI=1S/C12H24O2.C10H23N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3,(H,13,14);2-11H2,1H3
InChIKeySLLJXTNCXSFGFZ-UHFFFAOYSA-N
XLogP7.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.62
LogP ≤ 57.08
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

hexadecanoic acid;pentan-1-amine
CID 161401164
octadecanoic acid;pentadecan-1-amine
CID 174740594
nonan-1-amine;octanoic acid
CID 173305538
decan-1-amine;tetradecanoic acid
CID 158474246
7-aminoheptanoic acid;heptanoic acid
CID 157060940
icosan-1-amine;octadecanoic acid
CID 174740583
pentan-1-amine;tetradecanoic acid
CID 174809000
5-aminopentan-1-ol;octanoic acid
CID 21259313
hexadecanoic acid;octadec-9-en-1-amine
CID 74935183
dodecan-1-amine;octadec-9-enoic acid
CID 71446756
(Z)-octadec-9-enoic acid;tetradecan-1-amine
CID 173122543
11-aminoundecanoic acid;ethane
CID 144914161

Frequently Asked Questions

What is the IUPAC name of decan-1-amine;dodecanoic acid?
The IUPAC name of decan-1-amine;dodecanoic acid (CID 173305256) is decan-1-amine;dodecanoic acid.
What is the SMILES notation for decan-1-amine;dodecanoic acid?
The canonical SMILES for decan-1-amine;dodecanoic acid is CCCCCCCCCCCC(=O)O.CCCCCCCCCCN.
What is the InChIKey of decan-1-amine;dodecanoic acid?
The InChIKey is SLLJXTNCXSFGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C10H23N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3,(H,13,14);2-11H2,1H3.
What are the key properties of decan-1-amine;dodecanoic acid?
decan-1-amine;dodecanoic acid has a molecular weight of 357.62 g/mol, XLogP of 7.08, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-amine;dodecanoic acid is sourced from PubChem (CID 173305256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).