1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene

C92H171NO3 — CID 159674492

IUPAC1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESC.C1CCOCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCc2ccccc21.CC(C)C1CCc2ccccc21.CC(C)c1ccccc1.CC(C)c1cccnc1.c1ccc2c(c1)OCO2
InChIInChI=1S/C13H18.C12H16.C9H12.C8H11N.C7H6O2.C7H14.C6H12.C5H10O.2C4H10.8C2H6.CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-2-4-7-6(3-1)8-5-9-7;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6;1-2-4-6-5-3-1;2*1-4(2)3;8*1-2;/h3-4,6,8,10,12H,5,7,9H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;1-4H,5H2;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;1-5H2;2*4H,1-3H3;8*1-2H3;1H4
InChIKeyMUKOLZFDDXXDFQ-UHFFFAOYSA-N
MW1339.38 g/mol
LogP31.42
Rot. Bonds6

About 1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene

1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene (PubChem CID 159674492) has the molecular formula C92H171NO3 and a molecular weight of 1339.38 g/mol. Its IUPAC name is 1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
PubChem CID159674492
Molecular FormulaC92H171NO3
Molecular Weight1339.38 g/mol
Exact Mass1338.33
IUPAC Name1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
SMILESC.C1CCOCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCc2ccccc21.CC(C)C1CCc2ccccc21.CC(C)c1ccccc1.CC(C)c1cccnc1.c1ccc2c(c1)OCO2
InChIInChI=1S/C13H18.C12H16.C9H12.C8H11N.C7H6O2.C7H14.C6H12.C5H10O.2C4H10.8C2H6.CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-2-4-7-6(3-1)8-5-9-7;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6;1-2-4-6-5-3-1;2*1-4(2)3;8*1-2;/h3-4,6,8,10,12H,5,7,9H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;1-4H,5H2;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;1-5H2;2*4H,1-3H3;8*1-2H3;1H4
InChIKeyMUKOLZFDDXXDFQ-UHFFFAOYSA-N
XLogP31.42
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001339.38
LogP ≤ 531.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-benzodioxole;cumene;ethane;bis(2-methylpropane);pyridine
CID 157317278
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81406890
pyridin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748903
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81407153
adamantane;cumene;cyclohexene;cyclopenta-1,3-diene;ethane;1H-indene;methane;1-methylazetidine;4-methyl-3,4-dihydro-2H-chromene;1-methyl-2,3-dihydro-1H-indene;propane;pyridine
CID 160722364
methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 177028413
N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 56980067
2-tert-butyl-3,4-dihydro-1H-isoquinoline;3-tert-butyl-1-hydroxy-3H-2,1-benzoxaborole;cumene;5-propan-2-yl-1,3-dihydro-2-benzofuran;3-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine;1-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;bis(6-propan-2-yl-1,2,3,4-tetrahydronaphthalene);3-propan-2-yl-5,6,7,8-tetrahydroquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 159230125

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene (CID 159674492) is 1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene is C.C1CCOCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCc2ccccc21.CC(C)C1CCc2ccccc21.CC(C)c1ccccc1.CC(C)c1cccnc1.c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MUKOLZFDDXXDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.C12H16.C9H12.C8H11N.C7H6O2.C7H14.C6H12.C5H10O.2C4H10.8C2H6.CH4/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-3-5-9-6-8;1-2-4-7-6(3-1)8-5-9-7;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6;1-2-4-6-5-3-1;2*1-4(2)3;8*1-2;/h3-4,6,8,10,12H,5,7,9H2,1-2H3;3-6,9,11H,7-8H2,1-2H3;3-8H,1-2H3;3-7H,1-2H3;1-4H,5H2;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;1-5H2;2*4H,1-3H3;8*1-2H3;1H4.
What are the key properties of 1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene?
1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 1339.38 g/mol, XLogP of 31.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxole;cumene;ethane;methane;bis(2-methylpropane);oxane;propan-2-ylcyclobutane;propan-2-ylcyclopropane;1-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-ylpyridine;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159674492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).