ethane;1-methylindole

C15H27N — CID 91600075

IUPACethane;1-methylindole
SMILESCC.CC.CC.Cn1ccc2ccccc21
InChIInChI=1S/C9H9N.3C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;3*1-2/h2-7H,1H3;3*1-2H3
InChIKeySTTRQPAOEYLWRU-UHFFFAOYSA-N
MW221.39 g/mol
LogP5.26
Rot. Bonds

About ethane;1-methylindole

ethane;1-methylindole (PubChem CID 91600075) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;1-methylindole.

Molecular Properties

Compound Nameethane;1-methylindole
PubChem CID91600075
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;1-methylindole
SMILESCC.CC.CC.Cn1ccc2ccccc21
InChIInChI=1S/C9H9N.3C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;3*1-2/h2-7H,1H3;3*1-2H3
InChIKeySTTRQPAOEYLWRU-UHFFFAOYSA-N
XLogP5.26
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.26
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 ethane;1-methylindole?
The IUPAC name of ethane;1-methylindole (CID 91600075) is ethane;1-methylindole.
What is the SMILES notation for ethane;1-methylindole?
The canonical SMILES for ethane;1-methylindole is CC.CC.CC.Cn1ccc2ccccc21.
What is the InChIKey of ethane;1-methylindole?
The InChIKey is STTRQPAOEYLWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.3C2H6/c1-10-7-6-8-4-2-3-5-9(8)10;3*1-2/h2-7H,1H3;3*1-2H3.
What are the key properties of ethane;1-methylindole?
ethane;1-methylindole has a molecular weight of 221.39 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylindole is sourced from PubChem (CID 91600075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).