5-butan-2-yl-1-propan-2-ylindole

C15H21N — CID 135200251

IUPAC5-butan-2-yl-1-propan-2-ylindole
SMILESCCC(C)c1ccc2c(ccn2C(C)C)c1
InChIInChI=1S/C15H21N/c1-5-12(4)13-6-7-15-14(10-13)8-9-16(15)11(2)3/h6-12H,5H2,1-4H3
InChIKeyJIPLODBXEKGIAZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.74
Rot. Bonds3

About 5-butan-2-yl-1-propan-2-ylindole

5-butan-2-yl-1-propan-2-ylindole (PubChem CID 135200251) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-butan-2-yl-1-propan-2-ylindole.

Molecular Properties

Compound Name5-butan-2-yl-1-propan-2-ylindole
PubChem CID135200251
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name5-butan-2-yl-1-propan-2-ylindole
SMILESCCC(C)c1ccc2c(ccn2C(C)C)c1
InChIInChI=1S/C15H21N/c1-5-12(4)13-6-7-15-14(10-13)8-9-16(15)11(2)3/h6-12H,5H2,1-4H3
InChIKeyJIPLODBXEKGIAZ-UHFFFAOYSA-N
XLogP4.74
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-ethynyl-1-propan-2-ylindole
CID 155919851
6-(difluoromethyl)-1-propan-2-ylindole
CID 90162024
2-methyl-1-(1-propan-2-ylindol-5-yl)propan-2-ol
CID 115114963
2-methylpropyl 2-(5-propan-2-ylindol-1-yl)butanoate
CID 110831037
5,6-difluoro-1-propan-2-ylindole
CID 90162254
ethane;5-nitro-1-propan-2-ylindole
CID 143287721
6-butan-2-ylnaphthalene-2,3-diol
CID 134463629
6-butan-2-ylbenzo[f][1,3]benzodioxole
CID 142309916
6-butan-2-yl-1-methylindazole
CID 118069514
2-bromo-6-butan-2-ylquinoline
CID 102941166

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-propan-2-ylindole?
The IUPAC name of 5-butan-2-yl-1-propan-2-ylindole (CID 135200251) is 5-butan-2-yl-1-propan-2-ylindole.
What is the SMILES notation for 5-butan-2-yl-1-propan-2-ylindole?
The canonical SMILES for 5-butan-2-yl-1-propan-2-ylindole is CCC(C)c1ccc2c(ccn2C(C)C)c1.
What is the InChIKey of 5-butan-2-yl-1-propan-2-ylindole?
The InChIKey is JIPLODBXEKGIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-5-12(4)13-6-7-15-14(10-13)8-9-16(15)11(2)3/h6-12H,5H2,1-4H3.
What are the key properties of 5-butan-2-yl-1-propan-2-ylindole?
5-butan-2-yl-1-propan-2-ylindole has a molecular weight of 215.34 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1-propan-2-ylindole is sourced from PubChem (CID 135200251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).