2-aminodecyl benzoate

C17H27NO2 — CID 141308993

IUPAC2-aminodecyl benzoate
SMILESCCCCCCCCC(N)COC(=O)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-2-3-4-5-6-10-13-16(18)14-20-17(19)15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14,18H2,1H3
InChIKeyAPWOPEAXCICOKX-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.92
Rot. Bonds10

About 2-aminodecyl benzoate

2-aminodecyl benzoate (PubChem CID 141308993) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-aminodecyl benzoate.

Molecular Properties

Compound Name2-aminodecyl benzoate
PubChem CID141308993
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-aminodecyl benzoate
SMILESCCCCCCCCC(N)COC(=O)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-2-3-4-5-6-10-13-16(18)14-20-17(19)15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14,18H2,1H3
InChIKeyAPWOPEAXCICOKX-UHFFFAOYSA-N
XLogP3.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(benzoyloxymethyl)heptyl benzoate
CID 66728228
3-amino-1-phenyloctadecan-1-one
CID 54040118
5-methyldecyl benzoate
CID 100952637
3-hexylundecyl benzoate
CID 134363944
hexyl benzoate
CID 23235
CID 162308343
CID 162308343
CID 172820816
CID 172820816
butyl benzoate;hexyl benzoate
CID 22163024
1-hydroxydecyl benzoate
CID 54112556
potassium;hexadecyl benzoate;hydride
CID 174392583
decan-4-yl benzoate
CID 13141769
methanol;pentyl benzoate
CID 175222419

Frequently Asked Questions

What is the IUPAC name of 2-aminodecyl benzoate?
The IUPAC name of 2-aminodecyl benzoate (CID 141308993) is 2-aminodecyl benzoate.
What is the SMILES notation for 2-aminodecyl benzoate?
The canonical SMILES for 2-aminodecyl benzoate is CCCCCCCCC(N)COC(=O)c1ccccc1.
What is the InChIKey of 2-aminodecyl benzoate?
The InChIKey is APWOPEAXCICOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-2-3-4-5-6-10-13-16(18)14-20-17(19)15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14,18H2,1H3.
What are the key properties of 2-aminodecyl benzoate?
2-aminodecyl benzoate has a molecular weight of 277.41 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminodecyl benzoate is sourced from PubChem (CID 141308993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).