5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen

C17H29N — CID 143996683

IUPAC5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen
SMILESCC.CCCc1c[nH]c2ccc(C(C)CC)cc12.[H][H]
InChIInChI=1S/C15H21N.C2H6.H2/c1-4-6-13-10-16-15-8-7-12(9-14(13)15)11(3)5-2;1-2;/h7-11,16H,4-6H2,1-3H3;1-2H3;1H
InChIKeyZYEBUKMAIAKAJB-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.91
Rot. Bonds4

About 5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen

5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen (PubChem CID 143996683) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen.

Molecular Properties

Compound Name5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen
PubChem CID143996683
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen
SMILESCC.CCCc1c[nH]c2ccc(C(C)CC)cc12.[H][H]
InChIInChI=1S/C15H21N.C2H6.H2/c1-4-6-13-10-16-15-8-7-12(9-14(13)15)11(3)5-2;1-2;/h7-11,16H,4-6H2,1-3H3;1-2H3;1H
InChIKeyZYEBUKMAIAKAJB-UHFFFAOYSA-N
XLogP5.91
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-propyl-1H-indol-5-ol
CID 15366338
3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole
CID 156566204
5-butan-2-yl-1H-indole;molecular hydrogen
CID 144711250
ethyl 2-[3-(2-aminoethyl)-1H-indol-5-yl]butanoate
CID 54186822
oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine
CID 21071579
N-[(3-propyl-1H-indol-5-yl)methyl]methanesulfonamide
CID 174336078
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
CID 23815452
5-bromo-3-butan-2-yl-1H-indole
CID 106985240
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine
CID 166158013
5-ethoxy-3-propyl-1H-indole;formic acid
CID 142107070
2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane
CID 170598946
2-[5-[(2R)-butan-2-yl]-2-methyl-1H-indol-3-yl]ethanamine
CID 1381973

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen?
The IUPAC name of 5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen (CID 143996683) is 5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen.
What is the SMILES notation for 5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen?
The canonical SMILES for 5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen is CC.CCCc1c[nH]c2ccc(C(C)CC)cc12.[H][H].
What is the InChIKey of 5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen?
The InChIKey is ZYEBUKMAIAKAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N.C2H6.H2/c1-4-6-13-10-16-15-8-7-12(9-14(13)15)11(3)5-2;1-2;/h7-11,16H,4-6H2,1-3H3;1-2H3;1H.
What are the key properties of 5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen?
5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen has a molecular weight of 247.43 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-propyl-1H-indole;ethane;molecular hydrogen is sourced from PubChem (CID 143996683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).