4-hexyl-2,3-dimethyl-1H-indole

C16H23N — CID 101334969

IUPAC4-hexyl-2,3-dimethyl-1H-indole
SMILESCCCCCCc1cccc2[nH]c(C)c(C)c12
InChIInChI=1S/C16H23N/c1-4-5-6-7-9-14-10-8-11-15-16(14)12(2)13(3)17-15/h8,10-11,17H,4-7,9H2,1-3H3
InChIKeyKCPWPVAVOMTKOT-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.91
Rot. Bonds5

About 4-hexyl-2,3-dimethyl-1H-indole

4-hexyl-2,3-dimethyl-1H-indole (PubChem CID 101334969) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-hexyl-2,3-dimethyl-1H-indole.

Molecular Properties

Compound Name4-hexyl-2,3-dimethyl-1H-indole
PubChem CID101334969
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name4-hexyl-2,3-dimethyl-1H-indole
SMILESCCCCCCc1cccc2[nH]c(C)c(C)c12
InChIInChI=1S/C16H23N/c1-4-5-6-7-9-14-10-8-11-15-16(14)12(2)13(3)17-15/h8,10-11,17H,4-7,9H2,1-3H3
InChIKeyKCPWPVAVOMTKOT-UHFFFAOYSA-N
XLogP4.91
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.91
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

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1-dodecyl-2-hexylbenzene
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1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-pentyl-3-propylbenzene
CID 91255551
azane;1-decyl-2,3-dimethylbenzene;hydrate
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1-nonyl-9H-carbazole
CID 66872642

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2,3-dimethyl-1H-indole?
The IUPAC name of 4-hexyl-2,3-dimethyl-1H-indole (CID 101334969) is 4-hexyl-2,3-dimethyl-1H-indole.
What is the SMILES notation for 4-hexyl-2,3-dimethyl-1H-indole?
The canonical SMILES for 4-hexyl-2,3-dimethyl-1H-indole is CCCCCCc1cccc2[nH]c(C)c(C)c12.
What is the InChIKey of 4-hexyl-2,3-dimethyl-1H-indole?
The InChIKey is KCPWPVAVOMTKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-5-6-7-9-14-10-8-11-15-16(14)12(2)13(3)17-15/h8,10-11,17H,4-7,9H2,1-3H3.
What are the key properties of 4-hexyl-2,3-dimethyl-1H-indole?
4-hexyl-2,3-dimethyl-1H-indole has a molecular weight of 229.37 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2,3-dimethyl-1H-indole is sourced from PubChem (CID 101334969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).