2,5-ditert-butyl-1,3-dimethylindole

C18H27N — CID 59882822

IUPAC2,5-ditert-butyl-1,3-dimethylindole
SMILESCc1c(C(C)(C)C)n(C)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C18H27N/c1-12-14-11-13(17(2,3)4)9-10-15(14)19(8)16(12)18(5,6)7/h9-11H,1-8H3
InChIKeyRAIAETVWCFEQSJ-UHFFFAOYSA-N
MW257.42 g/mol
LogP5.08
Rot. Bonds

About 2,5-ditert-butyl-1,3-dimethylindole

2,5-ditert-butyl-1,3-dimethylindole (PubChem CID 59882822) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 2,5-ditert-butyl-1,3-dimethylindole.

Molecular Properties

Compound Name2,5-ditert-butyl-1,3-dimethylindole
PubChem CID59882822
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name2,5-ditert-butyl-1,3-dimethylindole
SMILESCc1c(C(C)(C)C)n(C)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C18H27N/c1-12-14-11-13(17(2,3)4)9-10-15(14)19(8)16(12)18(5,6)7/h9-11H,1-8H3
InChIKeyRAIAETVWCFEQSJ-UHFFFAOYSA-N
XLogP5.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-1,3-dimethylindole-2-carboxylic acid
CID 82497925
2-(3-bromo-5-tert-butyl-1-methylindol-2-yl)propan-2-amine
CID 84646099
5-tert-butyl-1,3-dimethylindole
CID 82491537
3-(5-tert-butyl-1,2-dimethylindol-3-yl)propan-1-amine
CID 82500218
3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine
CID 84743563
(6-tert-butyl-9-methylcarbazol-3-yl)-triphenylsilane
CID 174101281
bis(5-tert-butyl-2-methylphenyl)phosphinous acid
CID 71196791
3-(5-tert-butyl-1,2-dimethylindol-3-yl)propanenitrile
CID 82499617
3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole
CID 166581837
9-[3,5-bis(3-tert-butyl-6-methylcarbazol-9-yl)phenyl]-3-tert-butyl-6-methylcarbazole
CID 59399788
2,6,9-tritert-butylcarbazole
CID 177113514
6-tert-butyl-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 82497329

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-1,3-dimethylindole?
The IUPAC name of 2,5-ditert-butyl-1,3-dimethylindole (CID 59882822) is 2,5-ditert-butyl-1,3-dimethylindole.
What is the SMILES notation for 2,5-ditert-butyl-1,3-dimethylindole?
The canonical SMILES for 2,5-ditert-butyl-1,3-dimethylindole is Cc1c(C(C)(C)C)n(C)c2ccc(C(C)(C)C)cc12.
What is the InChIKey of 2,5-ditert-butyl-1,3-dimethylindole?
The InChIKey is RAIAETVWCFEQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-12-14-11-13(17(2,3)4)9-10-15(14)19(8)16(12)18(5,6)7/h9-11H,1-8H3.
What are the key properties of 2,5-ditert-butyl-1,3-dimethylindole?
2,5-ditert-butyl-1,3-dimethylindole has a molecular weight of 257.42 g/mol, XLogP of 5.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-1,3-dimethylindole is sourced from PubChem (CID 59882822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).