2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid

C21H32N2O5 — CID 10126593

IUPAC2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid
SMILESCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2O.C2H2O4/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19;3-1(4)2(5)6/h9-10,14-15,21H,2-8,11-13,20H2,1H3;(H,3,4)(H,5,6)
InChIKeyJORSCLBFSAAOFR-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.95
Rot. Bonds11

About 2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid

2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid (PubChem CID 10126593) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid.

Molecular Properties

Compound Name2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid
PubChem CID10126593
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC Name2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid
SMILESCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.O=C(O)C(=O)O
InChIInChI=1S/C19H30N2O.C2H2O4/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19;3-1(4)2(5)6/h9-10,14-15,21H,2-8,11-13,20H2,1H3;(H,3,4)(H,5,6)
InChIKeyJORSCLBFSAAOFR-UHFFFAOYSA-N
XLogP3.95
TPSA125.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid?
The IUPAC name of 2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid (CID 10126593) is 2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid.
What is the SMILES notation for 2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid?
The canonical SMILES for 2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid is CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.O=C(O)C(=O)O.
What is the InChIKey of 2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid?
The InChIKey is JORSCLBFSAAOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.C2H2O4/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19;3-1(4)2(5)6/h9-10,14-15,21H,2-8,11-13,20H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid?
2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid has a molecular weight of 392.50 g/mol, XLogP of 3.95, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nonoxy-1H-indol-3-yl)ethanamine;oxalic acid is sourced from PubChem (CID 10126593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).