octyl 10-aminodecanoate;hydrochloride

C18H38ClNO2 — CID 46887844

IUPACoctyl 10-aminodecanoate;hydrochloride
SMILESCCCCCCCCOC(=O)CCCCCCCCCN.Cl
InChIInChI=1S/C18H37NO2.ClH/c1-2-3-4-5-11-14-17-21-18(20)15-12-9-7-6-8-10-13-16-19;/h2-17,19H2,1H3;1H
InChIKeyKDWHXHDLBRYIPN-UHFFFAOYSA-N
MW335.96 g/mol
LogP5.39
Rot. Bonds16

About octyl 10-aminodecanoate;hydrochloride

octyl 10-aminodecanoate;hydrochloride (PubChem CID 46887844) has the molecular formula C18H38ClNO2 and a molecular weight of 335.96 g/mol. Its IUPAC name is octyl 10-aminodecanoate;hydrochloride.

Molecular Properties

Compound Nameoctyl 10-aminodecanoate;hydrochloride
PubChem CID46887844
Molecular FormulaC18H38ClNO2
Molecular Weight335.96 g/mol
Exact Mass335.26
IUPAC Nameoctyl 10-aminodecanoate;hydrochloride
SMILESCCCCCCCCOC(=O)CCCCCCCCCN.Cl
InChIInChI=1S/C18H37NO2.ClH/c1-2-3-4-5-11-14-17-21-18(20)15-12-9-7-6-8-10-13-16-19;/h2-17,19H2,1H3;1H
InChIKeyKDWHXHDLBRYIPN-UHFFFAOYSA-N
XLogP5.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.96
LogP ≤ 55.39
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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Frequently Asked Questions

What is the IUPAC name of octyl 10-aminodecanoate;hydrochloride?
The IUPAC name of octyl 10-aminodecanoate;hydrochloride (CID 46887844) is octyl 10-aminodecanoate;hydrochloride.
What is the SMILES notation for octyl 10-aminodecanoate;hydrochloride?
The canonical SMILES for octyl 10-aminodecanoate;hydrochloride is CCCCCCCCOC(=O)CCCCCCCCCN.Cl.
What is the InChIKey of octyl 10-aminodecanoate;hydrochloride?
The InChIKey is KDWHXHDLBRYIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2.ClH/c1-2-3-4-5-11-14-17-21-18(20)15-12-9-7-6-8-10-13-16-19;/h2-17,19H2,1H3;1H.
What are the key properties of octyl 10-aminodecanoate;hydrochloride?
octyl 10-aminodecanoate;hydrochloride has a molecular weight of 335.96 g/mol, XLogP of 5.39, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl 10-aminodecanoate;hydrochloride is sourced from PubChem (CID 46887844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).