2-(5-heptoxy-1H-indol-3-yl)ethanamine

C17H26N2O — CID 10802304

IUPAC2-(5-heptoxy-1H-indol-3-yl)ethanamine
SMILESCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C17H26N2O/c1-2-3-4-5-6-11-20-15-7-8-17-16(12-15)14(9-10-18)13-19-17/h7-8,12-13,19H,2-6,9-11,18H2,1H3
InChIKeyIQJYJYJSBZHZMJ-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.02
Rot. Bonds9

About 2-(5-heptoxy-1H-indol-3-yl)ethanamine

2-(5-heptoxy-1H-indol-3-yl)ethanamine (PubChem CID 10802304) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(5-heptoxy-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-heptoxy-1H-indol-3-yl)ethanamine
PubChem CID10802304
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(5-heptoxy-1H-indol-3-yl)ethanamine
SMILESCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C17H26N2O/c1-2-3-4-5-6-11-20-15-7-8-17-16(12-15)14(9-10-18)13-19-17/h7-8,12-13,19H,2-6,9-11,18H2,1H3
InChIKeyIQJYJYJSBZHZMJ-UHFFFAOYSA-N
XLogP4.02
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.02
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-heptoxy-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-heptoxy-1H-indol-3-yl)ethanamine (CID 10802304) is 2-(5-heptoxy-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-heptoxy-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-heptoxy-1H-indol-3-yl)ethanamine is CCCCCCCOc1ccc2[nH]cc(CCN)c2c1.
What is the InChIKey of 2-(5-heptoxy-1H-indol-3-yl)ethanamine?
The InChIKey is IQJYJYJSBZHZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-3-4-5-6-11-20-15-7-8-17-16(12-15)14(9-10-18)13-19-17/h7-8,12-13,19H,2-6,9-11,18H2,1H3.
What are the key properties of 2-(5-heptoxy-1H-indol-3-yl)ethanamine?
2-(5-heptoxy-1H-indol-3-yl)ethanamine has a molecular weight of 274.41 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-heptoxy-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 10802304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).