2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole]

C16H21N — CID 85176971

IUPAC2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole]
SMILESCCC1=Nc2ccccc2C12CCCCC2C
InChIInChI=1S/C16H21N/c1-3-15-16(11-7-6-8-12(16)2)13-9-4-5-10-14(13)17-15/h4-5,9-10,12H,3,6-8,11H2,1-2H3
InChIKeyXWCPXYIEFNPGFJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.63
Rot. Bonds1

About 2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole]

2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole] (PubChem CID 85176971) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole].

Molecular Properties

Compound Name2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole]
PubChem CID85176971
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole]
SMILESCCC1=Nc2ccccc2C12CCCCC2C
InChIInChI=1S/C16H21N/c1-3-15-16(11-7-6-8-12(16)2)13-9-4-5-10-14(13)17-15/h4-5,9-10,12H,3,6-8,11H2,1-2H3
InChIKeyXWCPXYIEFNPGFJ-UHFFFAOYSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole]?
The IUPAC name of 2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole] (CID 85176971) is 2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole].
What is the SMILES notation for 2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole]?
The canonical SMILES for 2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole] is CCC1=Nc2ccccc2C12CCCCC2C.
What is the InChIKey of 2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole]?
The InChIKey is XWCPXYIEFNPGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-3-15-16(11-7-6-8-12(16)2)13-9-4-5-10-14(13)17-15/h4-5,9-10,12H,3,6-8,11H2,1-2H3.
What are the key properties of 2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole]?
2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole] has a molecular weight of 227.35 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole] is sourced from PubChem (CID 85176971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).