ethane;6-(2-methylpentyl)-1H-indole

C16H25N — CID 143267578

IUPACethane;6-(2-methylpentyl)-1H-indole
SMILESCC.CCCC(C)Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H19N.C2H6/c1-3-4-11(2)9-12-5-6-13-7-8-15-14(13)10-12;1-2/h5-8,10-11,15H,3-4,9H2,1-2H3;1-2H3
InChIKeyGVHHELSGYRIZPL-UHFFFAOYSA-N
MW231.38 g/mol
LogP5.17
Rot. Bonds4

About ethane;6-(2-methylpentyl)-1H-indole

ethane;6-(2-methylpentyl)-1H-indole (PubChem CID 143267578) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is ethane;6-(2-methylpentyl)-1H-indole.

Molecular Properties

Compound Nameethane;6-(2-methylpentyl)-1H-indole
PubChem CID143267578
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Nameethane;6-(2-methylpentyl)-1H-indole
SMILESCC.CCCC(C)Cc1ccc2cc[nH]c2c1
InChIInChI=1S/C14H19N.C2H6/c1-3-4-11(2)9-12-5-6-13-7-8-15-14(13)10-12;1-2/h5-8,10-11,15H,3-4,9H2,1-2H3;1-2H3
InChIKeyGVHHELSGYRIZPL-UHFFFAOYSA-N
XLogP5.17
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.38
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;6-(2-methylpentyl)-1H-indole?
The IUPAC name of ethane;6-(2-methylpentyl)-1H-indole (CID 143267578) is ethane;6-(2-methylpentyl)-1H-indole.
What is the SMILES notation for ethane;6-(2-methylpentyl)-1H-indole?
The canonical SMILES for ethane;6-(2-methylpentyl)-1H-indole is CC.CCCC(C)Cc1ccc2cc[nH]c2c1.
What is the InChIKey of ethane;6-(2-methylpentyl)-1H-indole?
The InChIKey is GVHHELSGYRIZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.C2H6/c1-3-4-11(2)9-12-5-6-13-7-8-15-14(13)10-12;1-2/h5-8,10-11,15H,3-4,9H2,1-2H3;1-2H3.
What are the key properties of ethane;6-(2-methylpentyl)-1H-indole?
ethane;6-(2-methylpentyl)-1H-indole has a molecular weight of 231.38 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(2-methylpentyl)-1H-indole is sourced from PubChem (CID 143267578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).