2-(4-methylpentyl)-1H-indole

C14H19N — CID 18761636

IUPAC2-(4-methylpentyl)-1H-indole
SMILESCC(C)CCCc1cc2ccccc2[nH]1
InChIInChI=1S/C14H19N/c1-11(2)6-5-8-13-10-12-7-3-4-9-14(12)15-13/h3-4,7,9-11,15H,5-6,8H2,1-2H3
InChIKeyUIJADJNOSFOUBH-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.15
Rot. Bonds4

About 2-(4-methylpentyl)-1H-indole

2-(4-methylpentyl)-1H-indole (PubChem CID 18761636) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(4-methylpentyl)-1H-indole.

Molecular Properties

Compound Name2-(4-methylpentyl)-1H-indole
PubChem CID18761636
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-(4-methylpentyl)-1H-indole
SMILESCC(C)CCCc1cc2ccccc2[nH]1
InChIInChI=1S/C14H19N/c1-11(2)6-5-8-13-10-12-7-3-4-9-14(12)15-13/h3-4,7,9-11,15H,5-6,8H2,1-2H3
InChIKeyUIJADJNOSFOUBH-UHFFFAOYSA-N
XLogP4.15
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentyl)-1H-indole?
The IUPAC name of 2-(4-methylpentyl)-1H-indole (CID 18761636) is 2-(4-methylpentyl)-1H-indole.
What is the SMILES notation for 2-(4-methylpentyl)-1H-indole?
The canonical SMILES for 2-(4-methylpentyl)-1H-indole is CC(C)CCCc1cc2ccccc2[nH]1.
What is the InChIKey of 2-(4-methylpentyl)-1H-indole?
The InChIKey is UIJADJNOSFOUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11(2)6-5-8-13-10-12-7-3-4-9-14(12)15-13/h3-4,7,9-11,15H,5-6,8H2,1-2H3.
What are the key properties of 2-(4-methylpentyl)-1H-indole?
2-(4-methylpentyl)-1H-indole has a molecular weight of 201.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentyl)-1H-indole is sourced from PubChem (CID 18761636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).