propane;2,3,5-trimethyl-3H-indole

C14H21N — CID 142037175

IUPACpropane;2,3,5-trimethyl-3H-indole
SMILESCC1=Nc2ccc(C)cc2C1C.CCC
InChIInChI=1S/C11H13N.C3H8/c1-7-4-5-11-10(6-7)8(2)9(3)12-11;1-3-2/h4-6,8H,1-3H3;3H2,1-2H3
InChIKeyMIKJVGIVJZVAGW-UHFFFAOYSA-N
MW203.33 g/mol
LogP4.62
Rot. Bonds

About propane;2,3,5-trimethyl-3H-indole

propane;2,3,5-trimethyl-3H-indole (PubChem CID 142037175) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is propane;2,3,5-trimethyl-3H-indole.

Molecular Properties

Compound Namepropane;2,3,5-trimethyl-3H-indole
PubChem CID142037175
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Namepropane;2,3,5-trimethyl-3H-indole
SMILESCC1=Nc2ccc(C)cc2C1C.CCC
InChIInChI=1S/C11H13N.C3H8/c1-7-4-5-11-10(6-7)8(2)9(3)12-11;1-3-2/h4-6,8H,1-3H3;3H2,1-2H3
InChIKeyMIKJVGIVJZVAGW-UHFFFAOYSA-N
XLogP4.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propane;2,3,5-trimethyl-3H-indole?
The IUPAC name of propane;2,3,5-trimethyl-3H-indole (CID 142037175) is propane;2,3,5-trimethyl-3H-indole.
What is the SMILES notation for propane;2,3,5-trimethyl-3H-indole?
The canonical SMILES for propane;2,3,5-trimethyl-3H-indole is CC1=Nc2ccc(C)cc2C1C.CCC.
What is the InChIKey of propane;2,3,5-trimethyl-3H-indole?
The InChIKey is MIKJVGIVJZVAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C3H8/c1-7-4-5-11-10(6-7)8(2)9(3)12-11;1-3-2/h4-6,8H,1-3H3;3H2,1-2H3.
What are the key properties of propane;2,3,5-trimethyl-3H-indole?
propane;2,3,5-trimethyl-3H-indole has a molecular weight of 203.33 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;2,3,5-trimethyl-3H-indole is sourced from PubChem (CID 142037175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).