1-decylindole

C18H27N — CID 4552029

IUPAC1-decylindole
SMILESCCCCCCCCCCn1ccc2ccccc21
InChIInChI=1S/C18H27N/c1-2-3-4-5-6-7-8-11-15-19-16-14-17-12-9-10-13-18(17)19/h9-10,12-14,16H,2-8,11,15H2,1H3
InChIKeyRAOWSRKEACYRLX-UHFFFAOYSA-N
MW257.42 g/mol
LogP5.78
Rot. Bonds9

About 1-decylindole

1-decylindole (PubChem CID 4552029) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-decylindole.

Molecular Properties

Compound Name1-decylindole
PubChem CID4552029
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-decylindole
SMILESCCCCCCCCCCn1ccc2ccccc21
InChIInChI=1S/C18H27N/c1-2-3-4-5-6-7-8-11-15-19-16-14-17-12-9-10-13-18(17)19/h9-10,12-14,16H,2-8,11,15H2,1H3
InChIKeyRAOWSRKEACYRLX-UHFFFAOYSA-N
XLogP5.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-decylindole?
The IUPAC name of 1-decylindole (CID 4552029) is 1-decylindole.
What is the SMILES notation for 1-decylindole?
The canonical SMILES for 1-decylindole is CCCCCCCCCCn1ccc2ccccc21.
What is the InChIKey of 1-decylindole?
The InChIKey is RAOWSRKEACYRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-3-4-5-6-7-8-11-15-19-16-14-17-12-9-10-13-18(17)19/h9-10,12-14,16H,2-8,11,15H2,1H3.
What are the key properties of 1-decylindole?
1-decylindole has a molecular weight of 257.42 g/mol, XLogP of 5.78, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decylindole is sourced from PubChem (CID 4552029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).