ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C126H211N5O7 — CID 165042109

IUPACethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CC2(CCNC2)C1.CC(C)C1CCCN1.CC(C)C1CCNCC1.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(=O)C2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H18.C12H14O.C12H16O.C12H16.C11H11NO2.C11H13NO.C10H19N.C10H12O2.C8H17N.C7H15N.10C2H6/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)9-3-4-10-6-12(13)7-11(10)5-9;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)9-5-10(6-9)3-4-11-7-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7;10*1-2/h7-10H,3-6H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;6-9H,3-5H2,1-2H3;3-6H,1-2H3,(H,12,13,14);3-5,7H,6H2,1-2H3,(H,12,13);8-9,11H,3-7H2,1-2H3;3-5,7H,6H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;10*1-2H3
InChIKeyOHBWWOQMWACYRQ-UHFFFAOYSA-N
MW1908.10 g/mol
LogP34.47
Rot. Bonds10

About ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene

ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 165042109) has the molecular formula C126H211N5O7 and a molecular weight of 1908.10 g/mol. Its IUPAC name is ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nameethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID165042109
Molecular FormulaC126H211N5O7
Molecular Weight1908.10 g/mol
Exact Mass1906.63
IUPAC Nameethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CC2(CCNC2)C1.CC(C)C1CCCN1.CC(C)C1CCNCC1.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(=O)C2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H18.C12H14O.C12H16O.C12H16.C11H11NO2.C11H13NO.C10H19N.C10H12O2.C8H17N.C7H15N.10C2H6/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)9-3-4-10-6-12(13)7-11(10)5-9;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)9-5-10(6-9)3-4-11-7-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7;10*1-2/h7-10H,3-6H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;6-9H,3-5H2,1-2H3;3-6H,1-2H3,(H,12,13,14);3-5,7H,6H2,1-2H3,(H,12,13);8-9,11H,3-7H2,1-2H3;3-5,7H,6H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;10*1-2H3
InChIKeyOHBWWOQMWACYRQ-UHFFFAOYSA-N
XLogP34.47
TPSA156.12 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001908.10
LogP ≤ 534.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

3,4-dimethyl-2,3-dihydro-1-benzofuran;1,4-dimethyl-2,3-dihydroindole;2,4-dimethylisoindole-1,3-dione;4-methyl-1,3-benzodioxole;4-methyl-3H-2-benzofuran-1-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;1-(6-methyl-2H-1,3-benzoxazol-3-yl)ethanone;5-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-2,3-dihydro-1,4-benzodioxine;4-methyl-1,3-dihydro-2-benzofuran;4-methyl-2,3-dihydro-1-benzofuran;7-methyl-2,3-dihydro-1-benzofuran;5-methyl-3,4-dihydro-2H-chromene;1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;2,2,7-trimethyl-3H-1-benzofuran
CID 157450195
5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3H-indazole;4-propan-2-yl-1H-indene
CID 159484212
3,4-dimethyl-2,3-dihydro-1-benzofuran;1,4-dimethyl-2,3-dihydroindole;2,4-dimethylisoindole-1,3-dione;4-methyl-1,3-benzodioxole;4-methyl-3H-2-benzofuran-1-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-2,3-dihydro-1,4-benzodioxine;6-methyl-2,3-dihydro-1,4-benzodioxine;4-methyl-1,3-dihydro-2-benzofuran;4-methyl-2,3-dihydro-1-benzofuran;7-methyl-2,3-dihydro-1-benzofuran;5-methyl-3,4-dihydro-2H-chromene;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone;1-(6-methyl-2,3-dihydroindol-1-yl)ethanone;2,2,7-trimethyl-3H-1-benzofuran
CID 160747189
5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3H-indazole;5-propan-2-yl-1H-indene
CID 161047648
tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;2-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1-benzofuran;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,3-dihydro-1H-indene;4-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-indole;5-tert-butyl-2,3-dihydro-1H-isoindole;6-tert-butyl-2,3-dihydroisoindol-1-one;7-tert-butyl-1,2-dihydroisoquinoline;6-tert-butyl-1,2-dihydroquinoline;2-tert-butylnaphthalene;6-tert-butyl-1,2,3,4-tetrahydroisoquinoline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene;6-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 165053898
ethane;methane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;7-propan-2-yl-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 165063389

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 165042109) is ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1CC2(CCNC2)C1.CC(C)C1CCCN1.CC(C)C1CCNCC1.CC(C)c1ccc2c(c1)C(=O)NC2=O.CC(C)c1ccc2c(c1)CC(=O)C2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCCC2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)OCCC2.CC(C)c1ccc2c(c1)OCO2.
What is the InChIKey of ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OHBWWOQMWACYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C12H14O.C12H16O.C12H16.C11H11NO2.C11H13NO.C10H19N.C10H12O2.C8H17N.C7H15N.10C2H6/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)9-3-4-10-6-12(13)7-11(10)5-9;1-9(2)11-6-5-10-4-3-7-13-12(10)8-11;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-6(2)7-3-4-8-9(5-7)11(14)12-10(8)13;1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;1-8(2)9-5-10(6-9)3-4-11-7-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7;10*1-2/h7-10H,3-6H2,1-2H3;3-5,8H,6-7H2,1-2H3;5-6,8-9H,3-4,7H2,1-2H3;6-9H,3-5H2,1-2H3;3-6H,1-2H3,(H,12,13,14);3-5,7H,6H2,1-2H3,(H,12,13);8-9,11H,3-7H2,1-2H3;3-5,7H,6H2,1-2H3;7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;10*1-2H3.
What are the key properties of ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 1908.10 g/mol, XLogP of 34.47, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-6-azaspiro[3.4]octane;5-propan-2-yl-1,3-benzodioxole;7-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-1,3-dihydroinden-2-one;6-propan-2-yl-1,3-dihydroindol-2-one;5-propan-2-ylisoindole-1,3-dione;4-propan-2-ylpiperidine;2-propan-2-ylpyrrolidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 165042109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).