4-butan-2-yl-1H-indole;ethane

C14H21N — CID 143835108

IUPAC4-butan-2-yl-1H-indole;ethane
SMILESCC.CCC(C)c1cccc2[nH]ccc12
InChIInChI=1S/C12H15N.C2H6/c1-3-9(2)10-5-4-6-12-11(10)7-8-13-12;1-2/h4-9,13H,3H2,1-2H3;1-2H3
InChIKeyDWMYBRRCBKYMIU-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.71
Rot. Bonds2

About 4-butan-2-yl-1H-indole;ethane

4-butan-2-yl-1H-indole;ethane (PubChem CID 143835108) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-butan-2-yl-1H-indole;ethane.

Molecular Properties

Compound Name4-butan-2-yl-1H-indole;ethane
PubChem CID143835108
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-butan-2-yl-1H-indole;ethane
SMILESCC.CCC(C)c1cccc2[nH]ccc12
InChIInChI=1S/C12H15N.C2H6/c1-3-9(2)10-5-4-6-12-11(10)7-8-13-12;1-2/h4-9,13H,3H2,1-2H3;1-2H3
InChIKeyDWMYBRRCBKYMIU-UHFFFAOYSA-N
XLogP4.71
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

4-octan-2-yl-1H-indole
CID 130223302
2-ethyl-1-(1H-indol-4-yl)butan-1-ol
CID 115351832
1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol
CID 114200544
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
CID 55273031
(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
1-(1H-indol-4-yl)-3-phenylbutan-1-ol
CID 115351872
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine
CID 130708711
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
(1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131619295
1-(1H-indol-4-yl)ethanesulfonic acid
CID 21290543
4-[(1R)-1-piperazin-1-ylpropyl]-1H-indole;dihydrochloride
CID 171290393

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1H-indole;ethane?
The IUPAC name of 4-butan-2-yl-1H-indole;ethane (CID 143835108) is 4-butan-2-yl-1H-indole;ethane.
What is the SMILES notation for 4-butan-2-yl-1H-indole;ethane?
The canonical SMILES for 4-butan-2-yl-1H-indole;ethane is CC.CCC(C)c1cccc2[nH]ccc12.
What is the InChIKey of 4-butan-2-yl-1H-indole;ethane?
The InChIKey is DWMYBRRCBKYMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C2H6/c1-3-9(2)10-5-4-6-12-11(10)7-8-13-12;1-2/h4-9,13H,3H2,1-2H3;1-2H3.
What are the key properties of 4-butan-2-yl-1H-indole;ethane?
4-butan-2-yl-1H-indole;ethane has a molecular weight of 203.33 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1H-indole;ethane is sourced from PubChem (CID 143835108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).