2-hexyl-1H-indole

C14H19N — CID 14299246

IUPAC2-hexyl-1H-indole
SMILESCCCCCCc1cc2ccccc2[nH]1
InChIInChI=1S/C14H19N/c1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15-13/h6-8,10-11,15H,2-5,9H2,1H3
InChIKeyANMDMMOIMCDNAG-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.29
Rot. Bonds5

About 2-hexyl-1H-indole

2-hexyl-1H-indole (PubChem CID 14299246) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-hexyl-1H-indole.

Molecular Properties

Compound Name2-hexyl-1H-indole
PubChem CID14299246
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-hexyl-1H-indole
SMILESCCCCCCc1cc2ccccc2[nH]1
InChIInChI=1S/C14H19N/c1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15-13/h6-8,10-11,15H,2-5,9H2,1H3
InChIKeyANMDMMOIMCDNAG-UHFFFAOYSA-N
XLogP4.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-heptyl-1H-indole
CID 3719004
formamide;2-pentyl-1H-indole;piperazine
CID 174799337
2-octyl-5-phenyl-1H-indole
CID 134909135
2-(3-chloropropyl)-1H-indole
CID 13271043
2-(4-methylpentyl)-1H-indole
CID 18761636
6-bromo-2-octyl-1H-indole
CID 86224131
2-pentyl-1H-indole;piperazine-1-carboxamide
CID 174799325
2-(4-fluoropentyl)-1H-indole
CID 170987599
4-(1H-indol-2-yl)butylboronic acid
CID 67682562
2-heptyl-1H-quinolin-4-one
CID 172676765
2-heptyl-1H-quinolin-4-one
CID 172676764
8-(1H-indol-2-yl)octanoic acid
CID 54343320

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1H-indole?
The IUPAC name of 2-hexyl-1H-indole (CID 14299246) is 2-hexyl-1H-indole.
What is the SMILES notation for 2-hexyl-1H-indole?
The canonical SMILES for 2-hexyl-1H-indole is CCCCCCc1cc2ccccc2[nH]1.
What is the InChIKey of 2-hexyl-1H-indole?
The InChIKey is ANMDMMOIMCDNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-3-4-5-9-13-11-12-8-6-7-10-14(12)15-13/h6-8,10-11,15H,2-5,9H2,1H3.
What are the key properties of 2-hexyl-1H-indole?
2-hexyl-1H-indole has a molecular weight of 201.31 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1H-indole is sourced from PubChem (CID 14299246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).