ethane;4-ethyl-1-propan-2-ylindole

C15H23N — CID 176558224

IUPACethane;4-ethyl-1-propan-2-ylindole
SMILESCC.CCc1cccc2c1ccn2C(C)C
InChIInChI=1S/C13H17N.C2H6/c1-4-11-6-5-7-13-12(11)8-9-14(13)10(2)3;1-2/h5-10H,4H2,1-3H3;1-2H3
InChIKeyQXYVKZLLSTZXEB-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.81
Rot. Bonds2

About ethane;4-ethyl-1-propan-2-ylindole

ethane;4-ethyl-1-propan-2-ylindole (PubChem CID 176558224) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is ethane;4-ethyl-1-propan-2-ylindole.

Molecular Properties

Compound Nameethane;4-ethyl-1-propan-2-ylindole
PubChem CID176558224
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Nameethane;4-ethyl-1-propan-2-ylindole
SMILESCC.CCc1cccc2c1ccn2C(C)C
InChIInChI=1S/C13H17N.C2H6/c1-4-11-6-5-7-13-12(11)8-9-14(13)10(2)3;1-2/h5-10H,4H2,1-3H3;1-2H3
InChIKeyQXYVKZLLSTZXEB-UHFFFAOYSA-N
XLogP4.81
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(1-propan-2-ylindol-4-yl)propanamide
CID 71706625
1-(1-propan-2-ylindol-4-yl)ethanethiol
CID 135200256
3-ethyl-1,2-di(propan-2-yl)pyrrole
CID 139452481
4-ethyl-1-(2-phenylethyl)indole
CID 143158245
1-propan-2-ylindole-4-carboximidamide
CID 29038159
2-methyloctyl 1-propan-2-ylindole-4-carboxylate
CID 166326641
6-ethyl-1-propan-2-ylindole-4-carboxylic acid
CID 123691818
N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide
CID 71702177
tert-butyl 5-cyclopropyl-2-[(1-propan-2-ylindol-4-yl)methyl]pyridine-3-carboxylate
CID 159249396
2-(7-ethylindol-1-yl)propanoic acid
CID 60735777
2-(1-propan-2-ylindol-3-yl)ethanamine
CID 5115445
2-ethyl-5-methyl-4-[4-(1-propan-2-ylindol-4-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]benzonitrile
CID 143627758

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1-propan-2-ylindole?
The IUPAC name of ethane;4-ethyl-1-propan-2-ylindole (CID 176558224) is ethane;4-ethyl-1-propan-2-ylindole.
What is the SMILES notation for ethane;4-ethyl-1-propan-2-ylindole?
The canonical SMILES for ethane;4-ethyl-1-propan-2-ylindole is CC.CCc1cccc2c1ccn2C(C)C.
What is the InChIKey of ethane;4-ethyl-1-propan-2-ylindole?
The InChIKey is QXYVKZLLSTZXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C2H6/c1-4-11-6-5-7-13-12(11)8-9-14(13)10(2)3;1-2/h5-10H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;4-ethyl-1-propan-2-ylindole?
ethane;4-ethyl-1-propan-2-ylindole has a molecular weight of 217.36 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1-propan-2-ylindole is sourced from PubChem (CID 176558224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).