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

C19H30N2O — CID 1797

IUPAC2-(5-nonoxy-1H-indol-3-yl)ethanamine
SMILESCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19/h9-10,14-15,21H,2-8,11-13,20H2,1H3
InChIKeyYHSMSRREJYOGQJ-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.80
Rot. Bonds11

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

2-(5-nonoxy-1H-indol-3-yl)ethanamine (PubChem CID 1797) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-(5-nonoxy-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-nonoxy-1H-indol-3-yl)ethanamine
PubChem CID1797
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-(5-nonoxy-1H-indol-3-yl)ethanamine
SMILESCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19/h9-10,14-15,21H,2-8,11-13,20H2,1H3
InChIKeyYHSMSRREJYOGQJ-UHFFFAOYSA-N
XLogP4.80
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.80
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

Melatonin
CID 896
Serotonin
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Bufotenine
CID 10257
Pindolol
CID 4828
O-Methylbufotenine
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5-Methoxytryptamine
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Tegaserod
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N-Acetylserotonin
CID 903
5-Hydroxytryptophol
CID 9061
Idalopirdine
CID 21071390
5-Methoxyindoleacetic acid
CID 18986
Serotonin Hydrochloride
CID 160436

Frequently Asked Questions

What is the IUPAC name of 2-(5-nonoxy-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-nonoxy-1H-indol-3-yl)ethanamine (CID 1797) is 2-(5-nonoxy-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-nonoxy-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-nonoxy-1H-indol-3-yl)ethanamine is CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1.
What is the InChIKey of 2-(5-nonoxy-1H-indol-3-yl)ethanamine?
The InChIKey is YHSMSRREJYOGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19/h9-10,14-15,21H,2-8,11-13,20H2,1H3.
What are the key properties of 2-(5-nonoxy-1H-indol-3-yl)ethanamine?
2-(5-nonoxy-1H-indol-3-yl)ethanamine has a molecular weight of 302.46 g/mol, XLogP of 4.80, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nonoxy-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 1797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).