3-ethyl-2-methyl-1H-indole;propane

C14H21N — CID 156727003

IUPAC3-ethyl-2-methyl-1H-indole;propane
SMILESCCC.CCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C11H13N.C3H8/c1-3-9-8(2)12-11-7-5-4-6-10(9)11;1-3-2/h4-7,12H,3H2,1-2H3;3H2,1-2H3
InChIKeyJDEGBCHTYBJMOM-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.46
Rot. Bonds1

About 3-ethyl-2-methyl-1H-indole;propane

3-ethyl-2-methyl-1H-indole;propane (PubChem CID 156727003) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-ethyl-2-methyl-1H-indole;propane.

Molecular Properties

Compound Name3-ethyl-2-methyl-1H-indole;propane
PubChem CID156727003
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-ethyl-2-methyl-1H-indole;propane
SMILESCCC.CCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C11H13N.C3H8/c1-3-9-8(2)12-11-7-5-4-6-10(9)11;1-3-2/h4-7,12H,3H2,1-2H3;3H2,1-2H3
InChIKeyJDEGBCHTYBJMOM-UHFFFAOYSA-N
XLogP4.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2,3-diethyl-1H-indole;hydrate
CID 70606554
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
bis(9H-carbazole);propane
CID 90987002
3-ethyl-2-propyl-1H-indole
CID 65335384
N-ethyl-3-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 96658400
butane;2,3-dimethyl-1H-indole
CID 143059445
3-ethyl-1H-indole-2-carbonitrile
CID 89048363
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
2-(2-methyl-1H-indol-3-yl)-N,N-bis(phosphanyl)ethanamine
CID 144501748
ethyl 2-(3-ethyl-1H-indol-2-yl)acetate
CID 15424486
2-methyl-4-(2-methyl-1H-indol-3-yl)butan-2-ol
CID 82471951

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-1H-indole;propane?
The IUPAC name of 3-ethyl-2-methyl-1H-indole;propane (CID 156727003) is 3-ethyl-2-methyl-1H-indole;propane.
What is the SMILES notation for 3-ethyl-2-methyl-1H-indole;propane?
The canonical SMILES for 3-ethyl-2-methyl-1H-indole;propane is CCC.CCc1c(C)[nH]c2ccccc12.
What is the InChIKey of 3-ethyl-2-methyl-1H-indole;propane?
The InChIKey is JDEGBCHTYBJMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C3H8/c1-3-9-8(2)12-11-7-5-4-6-10(9)11;1-3-2/h4-7,12H,3H2,1-2H3;3H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-1H-indole;propane?
3-ethyl-2-methyl-1H-indole;propane has a molecular weight of 203.33 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-1H-indole;propane is sourced from PubChem (CID 156727003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).