3-butyl-6-ethyl-5-methyl-1H-indole

C15H21N — CID 123200442

IUPAC3-butyl-6-ethyl-5-methyl-1H-indole
SMILESCCCCc1c[nH]c2cc(CC)c(C)cc12
InChIInChI=1S/C15H21N/c1-4-6-7-13-10-16-15-9-12(5-2)11(3)8-14(13)15/h8-10,16H,4-7H2,1-3H3
InChIKeyPPIBIGHHDFDELV-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.38
Rot. Bonds4

About 3-butyl-6-ethyl-5-methyl-1H-indole

3-butyl-6-ethyl-5-methyl-1H-indole (PubChem CID 123200442) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-butyl-6-ethyl-5-methyl-1H-indole.

Molecular Properties

Compound Name3-butyl-6-ethyl-5-methyl-1H-indole
PubChem CID123200442
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-butyl-6-ethyl-5-methyl-1H-indole
SMILESCCCCc1c[nH]c2cc(CC)c(C)cc12
InChIInChI=1S/C15H21N/c1-4-6-7-13-10-16-15-9-12(5-2)11(3)8-14(13)15/h8-10,16H,4-7H2,1-3H3
InChIKeyPPIBIGHHDFDELV-UHFFFAOYSA-N
XLogP4.38
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-5-ethyl-2,4-dimethylbenzene
CID 155667588
3-hexyl-1H-indole-6-carbaldehyde
CID 156692445
3-octyl-1H-indole-6-carboxylic acid
CID 12797257
3-hexadecyl-1H-indole-6-carboxylic acid
CID 12797258
3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one
CID 143093423
3-heptyl-1H-indole
CID 15360907
5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one
CID 175267358
5-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole-6-carboxylic acid
CID 83947109
ethane;methane;3-pentyl-1H-indole-5-carbonitrile
CID 142891343
2-[4-[(3-butyl-1H-indol-5-yl)oxy]-3-chloro-5-methylphenoxy]acetic acid
CID 22669547
3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine
CID 83948710
4,5-dimethyl-3-pentyl-1H-indole
CID 168931300

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-ethyl-5-methyl-1H-indole?
The IUPAC name of 3-butyl-6-ethyl-5-methyl-1H-indole (CID 123200442) is 3-butyl-6-ethyl-5-methyl-1H-indole.
What is the SMILES notation for 3-butyl-6-ethyl-5-methyl-1H-indole?
The canonical SMILES for 3-butyl-6-ethyl-5-methyl-1H-indole is CCCCc1c[nH]c2cc(CC)c(C)cc12.
What is the InChIKey of 3-butyl-6-ethyl-5-methyl-1H-indole?
The InChIKey is PPIBIGHHDFDELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-6-7-13-10-16-15-9-12(5-2)11(3)8-14(13)15/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 3-butyl-6-ethyl-5-methyl-1H-indole?
3-butyl-6-ethyl-5-methyl-1H-indole has a molecular weight of 215.34 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-ethyl-5-methyl-1H-indole is sourced from PubChem (CID 123200442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).