2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane

C14H23N — CID 171834127

IUPAC2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane
SMILESCCC.CCc1cc2ccc(C)cc2[nH]1.[H][H]
InChIInChI=1S/C11H13N.C3H8.H2/c1-3-10-7-9-5-4-8(2)6-11(9)12-10;1-3-2;/h4-7,12H,3H2,1-2H3;3H2,1-2H3;1H
InChIKeyRDQLXAIATFKYTK-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.70
Rot. Bonds1

About 2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane

2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane (PubChem CID 171834127) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane.

Molecular Properties

Compound Name2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane
PubChem CID171834127
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane
SMILESCCC.CCc1cc2ccc(C)cc2[nH]1.[H][H]
InChIInChI=1S/C11H13N.C3H8.H2/c1-3-10-7-9-5-4-8(2)6-11(9)12-10;1-3-2;/h4-7,12H,3H2,1-2H3;3H2,1-2H3;1H
InChIKeyRDQLXAIATFKYTK-UHFFFAOYSA-N
XLogP4.70
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(6-methyl-1H-indol-2-yl)methanamine
CID 82502768
(6-methyl-1H-indol-2-yl)methanol
CID 71720977
2-(6-methyl-1H-indol-2-yl)acetonitrile
CID 84765788
2-ethyl-1H-benzo[f]indole
CID 57138959
2-(6-methyl-1H-indol-2-yl)ethyl formate
CID 174795231
2-fluoro-6-methyl-1H-indole
CID 150508639
2,6-dimethylnaphthalene;propane
CID 142191183
2-[(2-fluorophenoxy)methyl]-6-methyl-1H-indole
CID 117185935
3,7-dimethyl-1H-quinolin-2-one
CID 12693830
2-ethyl-6-methoxy-5-methyl-1H-indole
CID 130063718
molecular hydrogen;propane;1,4-xylene
CID 170763925
2-ethyl-5-propyl-1H-indole
CID 86257176

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane?
The IUPAC name of 2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane (CID 171834127) is 2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane.
What is the SMILES notation for 2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane?
The canonical SMILES for 2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane is CCC.CCc1cc2ccc(C)cc2[nH]1.[H][H].
What is the InChIKey of 2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane?
The InChIKey is RDQLXAIATFKYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C3H8.H2/c1-3-10-7-9-5-4-8(2)6-11(9)12-10;1-3-2;/h4-7,12H,3H2,1-2H3;3H2,1-2H3;1H.
What are the key properties of 2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane?
2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane has a molecular weight of 205.34 g/mol, XLogP of 4.70, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-1H-indole;molecular hydrogen;propane is sourced from PubChem (CID 171834127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).