3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane

C112H209N5 — CID 159391299

IUPAC3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=NCC2CC(C(C)C)CN12.CC(C)C1CCCC(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc2c(c1)CN(C(C)C)C2.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccccc1C(C)C.CC(C)c1ccnc(C(C)C)c1
InChIInChI=1S/C14H21N.C12H22N2.C12H18.C12H24.2C12H18.C11H17N.C11H23N.8C2H6/c1-10(2)12-5-6-13-8-15(11(3)4)9-14(13)7-12;1-8(2)10-5-11-6-13-12(9(3)4)14(11)7-10;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;8*1-2/h5-7,10-11H,8-9H2,1-4H3;8-11H,5-7H2,1-4H3;5-10H,1-4H3;9-12H,5-8H2,1-4H3;2*5-10H,1-4H3;5-9H,1-4H3;9-11H,5-8H2,1-4H3;8*1-2H3
InChIKeyLMDMRVSHSDTDLK-UHFFFAOYSA-N
MW1625.94 g/mol
LogP36.14
Rot. Bonds16

About 3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane

3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane (PubChem CID 159391299) has the molecular formula C112H209N5 and a molecular weight of 1625.94 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane
PubChem CID159391299
Molecular FormulaC112H209N5
Molecular Weight1625.94 g/mol
Exact Mass1624.65
IUPAC Name3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=NCC2CC(C(C)C)CN12.CC(C)C1CCCC(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc2c(c1)CN(C(C)C)C2.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccccc1C(C)C.CC(C)c1ccnc(C(C)C)c1
InChIInChI=1S/C14H21N.C12H22N2.C12H18.C12H24.2C12H18.C11H17N.C11H23N.8C2H6/c1-10(2)12-5-6-13-8-15(11(3)4)9-14(13)7-12;1-8(2)10-5-11-6-13-12(9(3)4)14(11)7-10;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;8*1-2/h5-7,10-11H,8-9H2,1-4H3;8-11H,5-7H2,1-4H3;5-10H,1-4H3;9-12H,5-8H2,1-4H3;2*5-10H,1-4H3;5-9H,1-4H3;9-11H,5-8H2,1-4H3;8*1-2H3
InChIKeyLMDMRVSHSDTDLK-UHFFFAOYSA-N
XLogP36.14
TPSA34.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001625.94
LogP ≤ 536.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane with MolForge

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Related Compounds

1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclopentane;1,3-di(propan-2-yl)cyclopentane;methane
CID 162269177
2,4-di(propan-2-yl)-1,3-dihydroisoindole;2,4-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)-3-tritio-3,4-dihydro-1H-isoquinoline
CID 159131107
1-(1-phenylethyl)-3-propan-2-ylpiperidine
CID 134236210
1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162243126
1,2-ditert-butylcyclopentane;1,3-ditert-butylcyclopentane;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene
CID 162280253
cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 158495434
2,4-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;ethane
CID 159523313
cumene;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;1-propan-2-ylazepane;1-propan-2-ylazetidine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;5-propan-2-yl-2,3-dihydro-1H-indene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-2,5-dihydropyrrole;7-propan-2-yl-1H-indene;1-propan-2-ylnaphthalene;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine
CID 162242697
1,4-di(propan-2-yl)-2,3-dihydroindole;1,5-di(propan-2-yl)-2,3-dihydroindole;1,6-di(propan-2-yl)-2,3-dihydroindole;2,5-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,6-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;2,7-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline;1,5-di(propan-2-yl)-3,4-dihydro-2H-quinoline;1,6-di(propan-2-yl)-3,4-dihydro-2H-quinoline;1,7-di(propan-2-yl)-3,4-dihydro-2H-quinoline
CID 161067768
1-propan-2-yl-3-(3-propan-2-ylcyclohexyl)benzene
CID 174725308
N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide
CID 166824772
3-tert-butyl-2,5-dihydrofuran;cumene;1-propan-2-yl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;7-propan-2-yl-7-azabicyclo[2.2.1]heptane;3-propan-2-yl-3-azabicyclo[3.2.1]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane;3-propan-2-yl-3-azatricyclo[4.2.1.02,5]nonane;1-propan-2-ylazepane;1-propan-2-ylazetidine;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclobutane;bis(propan-2-ylcyclohexane);1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;1-propan-2-ylcyclopentene;propan-2-ylcyclopropane;5-propan-2-yl-2,3-dihydro-1H-indene;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-yl-2,5-dihydropyrrole;7-propan-2-yl-1H-indene;1-propan-2-ylnaphthalene;bis(1-propan-2-ylpiperidine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine
CID 159682735

Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane?
The IUPAC name of 3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane (CID 159391299) is 3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane.
What is the SMILES notation for 3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane?
The canonical SMILES for 3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1=NCC2CC(C(C)C)CN12.CC(C)C1CCCC(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc2c(c1)CN(C(C)C)C2.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccccc1C(C)C.CC(C)c1ccnc(C(C)C)c1.
What is the InChIKey of 3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane?
The InChIKey is LMDMRVSHSDTDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C12H22N2.C12H18.C12H24.2C12H18.C11H17N.C11H23N.8C2H6/c1-10(2)12-5-6-13-8-15(11(3)4)9-14(13)7-12;1-8(2)10-5-11-6-13-12(9(3)4)14(11)7-10;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-5-6-12-11(7-10)9(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;8*1-2/h5-7,10-11H,8-9H2,1-4H3;8-11H,5-7H2,1-4H3;5-10H,1-4H3;9-12H,5-8H2,1-4H3;2*5-10H,1-4H3;5-9H,1-4H3;9-11H,5-8H2,1-4H3;8*1-2H3.
What are the key properties of 3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane?
3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane has a molecular weight of 1625.94 g/mol, XLogP of 36.14, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole;1,2-di(propan-2-yl)benzene;1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclohexane;2,5-di(propan-2-yl)-1,3-dihydroisoindole;1,3-di(propan-2-yl)piperidine;2,4-di(propan-2-yl)pyridine;ethane is sourced from PubChem (CID 159391299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).