2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane]

C14H19N — CID 58138455

IUPAC2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESCC1CCCCC12CNc1ccccc12
InChIInChI=1S/C14H19N/c1-11-6-4-5-9-14(11)10-15-13-8-3-2-7-12(13)14/h2-3,7-8,11,15H,4-6,9-10H2,1H3
InChIKeyTXHRMHZLWIFOOD-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.56
Rot. Bonds

About 2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane]

2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane] (PubChem CID 58138455) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane].

Molecular Properties

Compound Name2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane]
PubChem CID58138455
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESCC1CCCCC12CNc1ccccc12
InChIInChI=1S/C14H19N/c1-11-6-4-5-9-14(11)10-15-13-8-3-2-7-12(13)14/h2-3,7-8,11,15H,4-6,9-10H2,1H3
InChIKeyTXHRMHZLWIFOOD-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3-dimethyl-2,3-dihydro-1H-indole
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1-Methyl-2,3-dihydro-1H-indole
CID 55830
2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine
CID 12655251
2-(2,3-Dihydro-1H-indol-5-yl)-1-methyl-ethylamine
CID 13660281
6,11-Dihydro-5H-dibenz[b,e]azepine
CID 67974
2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole dihydrochloride
CID 134973
Stobadine
CID 108089

Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The IUPAC name of 2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane] (CID 58138455) is 2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane].
What is the SMILES notation for 2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The canonical SMILES for 2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane] is CC1CCCCC12CNc1ccccc12.
What is the InChIKey of 2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The InChIKey is TXHRMHZLWIFOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11-6-4-5-9-14(11)10-15-13-8-3-2-7-12(13)14/h2-3,7-8,11,15H,4-6,9-10H2,1H3.
What are the key properties of 2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane] has a molecular weight of 201.31 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[1,2-dihydroindole-3,1'-cyclohexane] is sourced from PubChem (CID 58138455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).