2-tert-butyl-3,7-dimethyl-1H-indole

C14H19N — CID 59397804

IUPAC2-tert-butyl-3,7-dimethyl-1H-indole
SMILESCc1c(C(C)(C)C)[nH]c2c(C)cccc12
InChIInChI=1S/C14H19N/c1-9-7-6-8-11-10(2)13(14(3,4)5)15-12(9)11/h6-8,15H,1-5H3
InChIKeyMYOLLFUNPRNHLV-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.08
Rot. Bonds

About 2-tert-butyl-3,7-dimethyl-1H-indole

2-tert-butyl-3,7-dimethyl-1H-indole (PubChem CID 59397804) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-tert-butyl-3,7-dimethyl-1H-indole.

Molecular Properties

Compound Name2-tert-butyl-3,7-dimethyl-1H-indole
PubChem CID59397804
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2-tert-butyl-3,7-dimethyl-1H-indole
SMILESCc1c(C(C)(C)C)[nH]c2c(C)cccc12
InChIInChI=1S/C14H19N/c1-9-7-6-8-11-10(2)13(14(3,4)5)15-12(9)11/h6-8,15H,1-5H3
InChIKeyMYOLLFUNPRNHLV-UHFFFAOYSA-N
XLogP4.08
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3,7-dimethyl-1H-indole-2-carboxylic acid;ethane
CID 145321259
7-methyl-9-azaheptacyclo[19.8.0.02,10.03,8.011,20.013,18.023,28]nonacosa-1,3,5,7,10,13,15,17,20,23,25,27-dodecaene-12,19,22,29-tetrone
CID 19431832
2-(3,7-dimethyl-1H-indol-2-yl)acetaldehyde
CID 112710904
2,8-dimethyl-1H-quinazoline-4-thione
CID 106505540
ethyl 2-(3,7-dimethyl-1H-indol-2-yl)-2-oxoacetate
CID 115072795
4,8-dimethyl-1H-quinoline-2-thione
CID 2118128
2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one
CID 169256334
1,8-dimethyl-2-phenyl-9H-carbazole
CID 175502594
1,4-ditert-butyl-2,3-dimethylnaphthalene
CID 163647560
1,5-dimethylnaphthalene
CID 162159355
2-(2,3-dimethyl-1H-indol-7-yl)propan-2-ol
CID 117291884
8-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 115021368

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,7-dimethyl-1H-indole?
The IUPAC name of 2-tert-butyl-3,7-dimethyl-1H-indole (CID 59397804) is 2-tert-butyl-3,7-dimethyl-1H-indole.
What is the SMILES notation for 2-tert-butyl-3,7-dimethyl-1H-indole?
The canonical SMILES for 2-tert-butyl-3,7-dimethyl-1H-indole is Cc1c(C(C)(C)C)[nH]c2c(C)cccc12.
What is the InChIKey of 2-tert-butyl-3,7-dimethyl-1H-indole?
The InChIKey is MYOLLFUNPRNHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-9-7-6-8-11-10(2)13(14(3,4)5)15-12(9)11/h6-8,15H,1-5H3.
What are the key properties of 2-tert-butyl-3,7-dimethyl-1H-indole?
2-tert-butyl-3,7-dimethyl-1H-indole has a molecular weight of 201.31 g/mol, XLogP of 4.08, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,7-dimethyl-1H-indole is sourced from PubChem (CID 59397804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).