4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine

C22H25N3O — CID 11175450

IUPAC4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine
SMILESc1ccc2c(CCCCNCCOc3cccc4[nH]ccc34)c[nH]c2c1
InChIInChI=1S/C22H25N3O/c1-2-8-20-18(7-1)17(16-25-20)6-3-4-12-23-14-15-26-22-10-5-9-21-19(22)11-13-24-21/h1-2,5,7-11,13,16,23-25H,3-4,6,12,14-15H2
InChIKeyUIXPCYZWBFDFKV-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.64
Rot. Bonds9

About 4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine

4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine (PubChem CID 11175450) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine
PubChem CID11175450
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine
SMILESc1ccc2c(CCCCNCCOc3cccc4[nH]ccc34)c[nH]c2c1
InChIInChI=1S/C22H25N3O/c1-2-8-20-18(7-1)17(16-25-20)6-3-4-12-23-14-15-26-22-10-5-9-21-19(22)11-13-24-21/h1-2,5,7-11,13,16,23-25H,3-4,6,12,14-15H2
InChIKeyUIXPCYZWBFDFKV-UHFFFAOYSA-N
XLogP4.64
TPSA52.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.64
H-Bond Donors ≤ 53
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 4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine?
The IUPAC name of 4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine (CID 11175450) is 4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine is c1ccc2c(CCCCNCCOc3cccc4[nH]ccc34)c[nH]c2c1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine?
The InChIKey is UIXPCYZWBFDFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-8-20-18(7-1)17(16-25-20)6-3-4-12-23-14-15-26-22-10-5-9-21-19(22)11-13-24-21/h1-2,5,7-11,13,16,23-25H,3-4,6,12,14-15H2.
What are the key properties of 4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine?
4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine has a molecular weight of 347.46 g/mol, XLogP of 4.64, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[2-(1H-indol-4-yloxy)ethyl]butan-1-amine is sourced from PubChem (CID 11175450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).