1,3-dimethyl-2-tridecylindole

C23H37N — CID 122371242

IUPAC1,3-dimethyl-2-tridecylindole
SMILESCCCCCCCCCCCCCc1c(C)c2ccccc2n1C
InChIInChI=1S/C23H37N/c1-4-5-6-7-8-9-10-11-12-13-14-18-22-20(2)21-17-15-16-19-23(21)24(22)3/h15-17,19H,4-14,18H2,1-3H3
InChIKeyZHWWOVKHWCBQAU-UHFFFAOYSA-N
MW327.56 g/mol
LogP7.34
Rot. Bonds12

About 1,3-dimethyl-2-tridecylindole

1,3-dimethyl-2-tridecylindole (PubChem CID 122371242) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is 1,3-dimethyl-2-tridecylindole.

Molecular Properties

Compound Name1,3-dimethyl-2-tridecylindole
PubChem CID122371242
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC Name1,3-dimethyl-2-tridecylindole
SMILESCCCCCCCCCCCCCc1c(C)c2ccccc2n1C
InChIInChI=1S/C23H37N/c1-4-5-6-7-8-9-10-11-12-13-14-18-22-20(2)21-17-15-16-19-23(21)24(22)3/h15-17,19H,4-14,18H2,1-3H3
InChIKeyZHWWOVKHWCBQAU-UHFFFAOYSA-N
XLogP7.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-dimethylindol-2-yl)butan-2-one
CID 14147978
2-heptyl-1-methyl-3-[(E)-2-phenylethenyl]quinolin-4-one
CID 102053069
1-methyl-3-pentyl-2-phenylindole
CID 102287854
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
2-(methoxymethyl)-1,3-dimethylindole
CID 101050705
3-butoxy-N-[(1,3-dimethylindol-2-yl)methyl]propan-1-amine
CID 107236210
1-methyl-2-undecylquinolin-4-one
CID 5319811
2-heptadecyl-1-methylquinolin-4-one
CID 53316624
4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine
CID 107236533
3-butan-2-yl-2-butyl-1-methylindole
CID 134480069
2-butyl-1-methylindole-3-carboxylic acid
CID 18505279
3-decyl-1-methylindole
CID 10802084

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-tridecylindole?
The IUPAC name of 1,3-dimethyl-2-tridecylindole (CID 122371242) is 1,3-dimethyl-2-tridecylindole.
What is the SMILES notation for 1,3-dimethyl-2-tridecylindole?
The canonical SMILES for 1,3-dimethyl-2-tridecylindole is CCCCCCCCCCCCCc1c(C)c2ccccc2n1C.
What is the InChIKey of 1,3-dimethyl-2-tridecylindole?
The InChIKey is ZHWWOVKHWCBQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N/c1-4-5-6-7-8-9-10-11-12-13-14-18-22-20(2)21-17-15-16-19-23(21)24(22)3/h15-17,19H,4-14,18H2,1-3H3.
What are the key properties of 1,3-dimethyl-2-tridecylindole?
1,3-dimethyl-2-tridecylindole has a molecular weight of 327.56 g/mol, XLogP of 7.34, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-tridecylindole is sourced from PubChem (CID 122371242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).