15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol

C25H42N2O — CID 46897304

IUPAC15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol
SMILESOCCCCCCCCCCCCCCCNCCc1c[nH]c2ccccc12
InChIInChI=1S/C25H42N2O/c28-21-15-11-9-7-5-3-1-2-4-6-8-10-14-19-26-20-18-23-22-27-25-17-13-12-16-24(23)25/h12-13,16-17,22,26-28H,1-11,14-15,18-21H2
InChIKeyUVEDAHXNGZHHLW-UHFFFAOYSA-N
MW386.62 g/mol
LogP6.36
Rot. Bonds18

About 15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol

15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol (PubChem CID 46897304) has the molecular formula C25H42N2O and a molecular weight of 386.62 g/mol. Its IUPAC name is 15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol.

Molecular Properties

Compound Name15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol
PubChem CID46897304
Molecular FormulaC25H42N2O
Molecular Weight386.62 g/mol
Exact Mass386.33
IUPAC Name15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol
SMILESOCCCCCCCCCCCCCCCNCCc1c[nH]c2ccccc12
InChIInChI=1S/C25H42N2O/c28-21-15-11-9-7-5-3-1-2-4-6-8-10-14-19-26-20-18-23-22-27-25-17-13-12-16-24(23)25/h12-13,16-17,22,26-28H,1-11,14-15,18-21H2
InChIKeyUVEDAHXNGZHHLW-UHFFFAOYSA-N
XLogP6.36
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 56.36
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 15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol?
The IUPAC name of 15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol (CID 46897304) is 15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol.
What is the SMILES notation for 15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol?
The canonical SMILES for 15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol is OCCCCCCCCCCCCCCCNCCc1c[nH]c2ccccc12.
What is the InChIKey of 15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol?
The InChIKey is UVEDAHXNGZHHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2O/c28-21-15-11-9-7-5-3-1-2-4-6-8-10-14-19-26-20-18-23-22-27-25-17-13-12-16-24(23)25/h12-13,16-17,22,26-28H,1-11,14-15,18-21H2.
What are the key properties of 15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol?
15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol has a molecular weight of 386.62 g/mol, XLogP of 6.36, 18 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(1H-indol-3-yl)ethylamino]pentadecan-1-ol is sourced from PubChem (CID 46897304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).