5-butan-2-yl-1-methylindole;ethane

C17H29N — CID 143601269

IUPAC5-butan-2-yl-1-methylindole;ethane
SMILESCC.CC.CCC(C)c1ccc2c(ccn2C)c1
InChIInChI=1S/C13H17N.2C2H6/c1-4-10(2)11-5-6-13-12(9-11)7-8-14(13)3;2*1-2/h5-10H,4H2,1-3H3;2*1-2H3
InChIKeyBGBDLKBGVVEAKY-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.74
Rot. Bonds2

About 5-butan-2-yl-1-methylindole;ethane

5-butan-2-yl-1-methylindole;ethane (PubChem CID 143601269) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 5-butan-2-yl-1-methylindole;ethane.

Molecular Properties

Compound Name5-butan-2-yl-1-methylindole;ethane
PubChem CID143601269
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name5-butan-2-yl-1-methylindole;ethane
SMILESCC.CC.CCC(C)c1ccc2c(ccn2C)c1
InChIInChI=1S/C13H17N.2C2H6/c1-4-10(2)11-5-6-13-12(9-11)7-8-14(13)3;2*1-2/h5-10H,4H2,1-3H3;2*1-2H3
InChIKeyBGBDLKBGVVEAKY-UHFFFAOYSA-N
XLogP5.74
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 159968183
1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole
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CID 155480882
CID 134968780
CID 134968780
2,3-dihydroxy-3-(1-methylindol-5-yl)propanenitrile
CID 171870442
6-butan-2-yl-1-methylindazole
CID 118069514
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 121179898
5-iodo-1-methylindole
CID 11322835
1,7-dimethylpyrrolo[3,2-f]indole
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6-butan-2-ylnaphthalene-2,3-diol
CID 134463629

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1-methylindole;ethane?
The IUPAC name of 5-butan-2-yl-1-methylindole;ethane (CID 143601269) is 5-butan-2-yl-1-methylindole;ethane.
What is the SMILES notation for 5-butan-2-yl-1-methylindole;ethane?
The canonical SMILES for 5-butan-2-yl-1-methylindole;ethane is CC.CC.CCC(C)c1ccc2c(ccn2C)c1.
What is the InChIKey of 5-butan-2-yl-1-methylindole;ethane?
The InChIKey is BGBDLKBGVVEAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.2C2H6/c1-4-10(2)11-5-6-13-12(9-11)7-8-14(13)3;2*1-2/h5-10H,4H2,1-3H3;2*1-2H3.
What are the key properties of 5-butan-2-yl-1-methylindole;ethane?
5-butan-2-yl-1-methylindole;ethane has a molecular weight of 247.43 g/mol, XLogP of 5.74, 2 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-methylindole;ethane is sourced from PubChem (CID 143601269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).