3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole

C22H32N2 — CID 91045612

IUPAC3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole
SMILESCn1cc(C(C)(C)C)c2ccccc21.Cn1ccc(C(C)(C)C)c1
InChIInChI=1S/C13H17N.C9H15N/c1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-9(2,3)8-5-6-10(4)7-8/h5-9H,1-4H3;5-7H,1-4H3
InChIKeyQAMWLBFHABTFGH-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.80
Rot. Bonds

About 3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole

3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole (PubChem CID 91045612) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole.

Molecular Properties

Compound Name3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole
PubChem CID91045612
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole
SMILESCn1cc(C(C)(C)C)c2ccccc21.Cn1ccc(C(C)(C)C)c1
InChIInChI=1S/C13H17N.C9H15N/c1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-9(2,3)8-5-6-10(4)7-8/h5-9H,1-4H3;5-7H,1-4H3
InChIKeyQAMWLBFHABTFGH-UHFFFAOYSA-N
XLogP5.80
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole
CID 13205591
3-tert-butyl-1-propylindole
CID 137421343
4-methyl-4-(1-methylindol-3-yl)pentan-2-one
CID 12015252
2-methyl-2-(1-methylindol-3-yl)propaneperoxoic acid
CID 22943029
3-[1-cyclopropyl-2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]-1-methylindole
CID 102130704
2,2-difluoro-2-(1-methylindol-3-yl)acetonitrile
CID 116840601
[2-methyl-2-(1-methylindol-3-yl)propyl]urea
CID 19756239
3,7-ditert-butyl-1-methylindole
CID 59882824
2-cyclopropyl-2-(1-methylindol-3-yl)propan-1-amine
CID 83840061
3-[1,1,1,3,3,3-hexafluoro-2-[[1,1,1,3,3,3-hexafluoro-2-(1-methylindol-3-yl)propan-2-yl]trisulfanyl]propan-2-yl]-1-methylindole
CID 132839182
2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide
CID 116829549
1-methyl-3-(1-methylindol-3-yl)selanylindole
CID 621312

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole?
The IUPAC name of 3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole (CID 91045612) is 3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole.
What is the SMILES notation for 3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole?
The canonical SMILES for 3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole is Cn1cc(C(C)(C)C)c2ccccc21.Cn1ccc(C(C)(C)C)c1.
What is the InChIKey of 3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole?
The InChIKey is QAMWLBFHABTFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C9H15N/c1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-9(2,3)8-5-6-10(4)7-8/h5-9H,1-4H3;5-7H,1-4H3.
What are the key properties of 3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole?
3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole has a molecular weight of 324.51 g/mol, XLogP of 5.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methylindole;3-tert-butyl-1-methylpyrrole is sourced from PubChem (CID 91045612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).