ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]

C15H23N — CID 123637985

IUPACethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESCC.c1ccc2c(c1)NCC21CCCCC1
InChIInChI=1S/C13H17N.C2H6/c1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13;1-2/h2-3,6-7,14H,1,4-5,8-10H2;1-2H3
InChIKeyOOLIOADTVBPIJJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.34
Rot. Bonds

About ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]

ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane] (PubChem CID 123637985) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane].

Molecular Properties

Compound Nameethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
PubChem CID123637985
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Nameethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESCC.c1ccc2c(c1)NCC21CCCCC1
InChIInChI=1S/C13H17N.C2H6/c1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13;1-2/h2-3,6-7,14H,1,4-5,8-10H2;1-2H3
InChIKeyOOLIOADTVBPIJJ-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]?
The IUPAC name of ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane] (CID 123637985) is ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane].
What is the SMILES notation for ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]?
The canonical SMILES for ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane] is CC.c1ccc2c(c1)NCC21CCCCC1.
What is the InChIKey of ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]?
The InChIKey is OOLIOADTVBPIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C2H6/c1-4-8-13(9-5-1)10-14-12-7-3-2-6-11(12)13;1-2/h2-3,6-7,14H,1,4-5,8-10H2;1-2H3.
What are the key properties of ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane]?
ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane] has a molecular weight of 217.36 g/mol, XLogP of 4.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;spiro[1,2-dihydroindole-3,1'-cyclohexane] is sourced from PubChem (CID 123637985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).