6-ethyl-4-propan-2-yl-1H-indole

C13H17N — CID 129263187

IUPAC6-ethyl-4-propan-2-yl-1H-indole
SMILESCCc1cc(C(C)C)c2cc[nH]c2c1
InChIInChI=1S/C13H17N/c1-4-10-7-12(9(2)3)11-5-6-14-13(11)8-10/h5-9,14H,4H2,1-3H3
InChIKeyIGMFLFDSVYGDJA-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.85
Rot. Bonds2

About 6-ethyl-4-propan-2-yl-1H-indole

6-ethyl-4-propan-2-yl-1H-indole (PubChem CID 129263187) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 6-ethyl-4-propan-2-yl-1H-indole.

Molecular Properties

Compound Name6-ethyl-4-propan-2-yl-1H-indole
PubChem CID129263187
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name6-ethyl-4-propan-2-yl-1H-indole
SMILESCCc1cc(C(C)C)c2cc[nH]c2c1
InChIInChI=1S/C13H17N/c1-4-10-7-12(9(2)3)11-5-6-14-13(11)8-10/h5-9,14H,4H2,1-3H3
InChIKeyIGMFLFDSVYGDJA-UHFFFAOYSA-N
XLogP3.85
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

4-propan-2-yl-6-(trifluoromethyl)-1H-indole
CID 58507761
4-propan-2-yl-1H-indole-6-carboxylic acid
CID 159922488
(3-propan-2-yl-1H-indol-6-yl)methanamine
CID 115017611
4-ethyl-2,6-di(propan-2-yl)phenol
CID 3058292
4-butan-2-yl-1H-indole;ethane
CID 143835108
4-chloro-6-propyl-1H-indole
CID 67563009
2-(6-propan-2-yl-1H-indol-4-yl)acetic acid
CID 174727821
4-octan-2-yl-1H-indole
CID 130223302
1-tert-butyl-5-ethyl-3-propan-2-yl-2-propan-2-yloxybenzene
CID 159607362
6-bromo-4-(difluoromethyl)-1H-indole
CID 166541112
7-propan-2-yl-1H-quinoline-4-thione
CID 19075128
3-propan-2-yl-1H-indol-6-amine
CID 45117013

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-propan-2-yl-1H-indole?
The IUPAC name of 6-ethyl-4-propan-2-yl-1H-indole (CID 129263187) is 6-ethyl-4-propan-2-yl-1H-indole.
What is the SMILES notation for 6-ethyl-4-propan-2-yl-1H-indole?
The canonical SMILES for 6-ethyl-4-propan-2-yl-1H-indole is CCc1cc(C(C)C)c2cc[nH]c2c1.
What is the InChIKey of 6-ethyl-4-propan-2-yl-1H-indole?
The InChIKey is IGMFLFDSVYGDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-10-7-12(9(2)3)11-5-6-14-13(11)8-10/h5-9,14H,4H2,1-3H3.
What are the key properties of 6-ethyl-4-propan-2-yl-1H-indole?
6-ethyl-4-propan-2-yl-1H-indole has a molecular weight of 187.29 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-propan-2-yl-1H-indole is sourced from PubChem (CID 129263187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).