4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine

C17H26N2O — CID 62562735

IUPAC4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine
SMILESCCOCCCCNCCn1cc(C)c2ccccc21
InChIInChI=1S/C17H26N2O/c1-3-20-13-7-6-10-18-11-12-19-14-15(2)16-8-4-5-9-17(16)19/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3
InChIKeyPVGHFTJAVXFJNR-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.36
Rot. Bonds9

About 4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine

4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine (PubChem CID 62562735) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine
PubChem CID62562735
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine
SMILESCCOCCCCNCCn1cc(C)c2ccccc21
InChIInChI=1S/C17H26N2O/c1-3-20-13-7-6-10-18-11-12-19-14-15(2)16-8-4-5-9-17(16)19/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3
InChIKeyPVGHFTJAVXFJNR-UHFFFAOYSA-N
XLogP3.36
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.36
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 4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine?
The IUPAC name of 4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine (CID 62562735) is 4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine?
The canonical SMILES for 4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine is CCOCCCCNCCn1cc(C)c2ccccc21.
What is the InChIKey of 4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine?
The InChIKey is PVGHFTJAVXFJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-20-13-7-6-10-18-11-12-19-14-15(2)16-8-4-5-9-17(16)19/h4-5,8-9,14,18H,3,6-7,10-13H2,1-2H3.
What are the key properties of 4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine?
4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(3-methylindol-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 62562735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).