2-methyl-1-tetradecylindole

C23H37N — CID 19869962

IUPAC2-methyl-1-tetradecylindole
SMILESCCCCCCCCCCCCCCn1c(C)cc2ccccc21
InChIInChI=1S/C23H37N/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-24-21(2)20-22-17-14-15-18-23(22)24/h14-15,17-18,20H,3-13,16,19H2,1-2H3
InChIKeyONQFDNZGHTXIJA-UHFFFAOYSA-N
MW327.56 g/mol
LogP7.65
Rot. Bonds13

About 2-methyl-1-tetradecylindole

2-methyl-1-tetradecylindole (PubChem CID 19869962) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is 2-methyl-1-tetradecylindole.

Molecular Properties

Compound Name2-methyl-1-tetradecylindole
PubChem CID19869962
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC Name2-methyl-1-tetradecylindole
SMILESCCCCCCCCCCCCCCn1c(C)cc2ccccc21
InChIInChI=1S/C23H37N/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-24-21(2)20-22-17-14-15-18-23(22)24/h14-15,17-18,20H,3-13,16,19H2,1-2H3
InChIKeyONQFDNZGHTXIJA-UHFFFAOYSA-N
XLogP7.65
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 57.65
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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Related Compounds

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1-pentyl-2-phenylindole
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6,18-didodecyl-7,19-dimethyl-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783629
2,2-dimethyl-6-(2-methylindol-1-yl)hexanenitrile
CID 106714540
2-methyl-1-(2-pyrazol-1-ylethyl)indole
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2-methylnaphthalene;3-methyl-9-octylcarbazole
CID 167681483
N-(2-methoxyethyl)-4-(2-methylindol-1-yl)butan-1-amine
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9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
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CID 102531556

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-tetradecylindole?
The IUPAC name of 2-methyl-1-tetradecylindole (CID 19869962) is 2-methyl-1-tetradecylindole.
What is the SMILES notation for 2-methyl-1-tetradecylindole?
The canonical SMILES for 2-methyl-1-tetradecylindole is CCCCCCCCCCCCCCn1c(C)cc2ccccc21.
What is the InChIKey of 2-methyl-1-tetradecylindole?
The InChIKey is ONQFDNZGHTXIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N/c1-3-4-5-6-7-8-9-10-11-12-13-16-19-24-21(2)20-22-17-14-15-18-23(22)24/h14-15,17-18,20H,3-13,16,19H2,1-2H3.
What are the key properties of 2-methyl-1-tetradecylindole?
2-methyl-1-tetradecylindole has a molecular weight of 327.56 g/mol, XLogP of 7.65, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-tetradecylindole is sourced from PubChem (CID 19869962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).