3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole

C18H27N — CID 159704353

IUPAC3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole
SMILESCc1cc(C)c2c(CC(C)(C)C)c(C)n(C)c2c1C
InChIInChI=1S/C18H27N/c1-11-9-12(2)16-15(10-18(5,6)7)14(4)19(8)17(16)13(11)3/h9H,10H2,1-8H3
InChIKeyCWDFAGZYMHMSBY-UHFFFAOYSA-N
MW257.42 g/mol
LogP5.00
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole

3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole (PubChem CID 159704353) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole
PubChem CID159704353
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole
SMILESCc1cc(C)c2c(CC(C)(C)C)c(C)n(C)c2c1C
InChIInChI=1S/C18H27N/c1-11-9-12(2)16-15(10-18(5,6)7)14(4)19(8)17(16)13(11)3/h9H,10H2,1-8H3
InChIKeyCWDFAGZYMHMSBY-UHFFFAOYSA-N
XLogP5.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2-dimethylpropyl)-1,2,4,5-tetramethylbenzene
CID 590260
3-(2,2-dimethylpropyl)-1,2,4,6-tetramethylpyrrolo[2,3-b]pyridine
CID 157096750
4-(2,2-dimethylpropyl)-3,5-dimethylphenol
CID 134338479
[4-(2,2-dimethylpropyl)-3,5-dimethylphenyl]-methylborinic acid
CID 158120582
1-(1,2,4,5,6,7-hexamethylindol-3-yl)-N-iodomethanamine
CID 131730211
2-(2,2-dimethylpropyl)-1,3-dimethoxy-5-methylbenzene
CID 59743812
4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole
CID 59743946
2-(2,2-dimethylpropyl)-1,4-dimethylpyrrole
CID 164937330
1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene
CID 23533123
4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid
CID 82500354
ethane;1,2,3,4,5-pentamethyl-6-[(2,3,5,6-tetramethylphenyl)methyl]benzene
CID 91299568
3-(2-chloroethyl)-1,2,4,5-tetramethylbenzene
CID 53403936

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole?
The IUPAC name of 3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole (CID 159704353) is 3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole is Cc1cc(C)c2c(CC(C)(C)C)c(C)n(C)c2c1C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole?
The InChIKey is CWDFAGZYMHMSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-11-9-12(2)16-15(10-18(5,6)7)14(4)19(8)17(16)13(11)3/h9H,10H2,1-8H3.
What are the key properties of 3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole?
3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole has a molecular weight of 257.42 g/mol, XLogP of 5.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1,2,4,6,7-pentamethylindole is sourced from PubChem (CID 159704353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).