tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C139H229N9O2 — CID 161094804

IUPACtert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1.CC(C)C1=CC2N=CC=CC2C1.CC(C)C1=Cc2ccccc2C1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1cn2c(n1)CCCC2.CC(C)c1cn2ccccc2n1.CC(C)c1ncccn1
InChIInChI=1S/C13H14.C12H13N.C12H14.C11H11NO2.C11H15N.C10H16N2.C10H12N2.C10H14.C10H20.C9H18.C7H10N2.12C2H6/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)10-6-9-4-3-5-12-11(9)7-10;2*1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-8-4-3-5-9-7;12*1-2/h3-10H,1-2H3;3-9H,1-2H3;3-7,9H,8H2,1-2H3;3-7H,1-2H3;3-5,7-9,11H,6H2,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;4-8H,1-3H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3-6H,1-2H3;12*1-2H3
InChIKeyUHQOBHLCVUVFIE-UHFFFAOYSA-N
MW2058.42 g/mol
LogP43.43
Rot. Bonds10

About tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 161094804) has the molecular formula C139H229N9O2 and a molecular weight of 2058.42 g/mol. Its IUPAC name is tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Nametert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID161094804
Molecular FormulaC139H229N9O2
Molecular Weight2058.42 g/mol
Exact Mass2056.81
IUPAC Nametert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1.CC(C)C1=CC2N=CC=CC2C1.CC(C)C1=Cc2ccccc2C1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1cn2c(n1)CCCC2.CC(C)c1cn2ccccc2n1.CC(C)c1ncccn1
InChIInChI=1S/C13H14.C12H13N.C12H14.C11H11NO2.C11H15N.C10H16N2.C10H12N2.C10H14.C10H20.C9H18.C7H10N2.12C2H6/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)10-6-9-4-3-5-12-11(9)7-10;2*1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-8-4-3-5-9-7;12*1-2/h3-10H,1-2H3;3-9H,1-2H3;3-7,9H,8H2,1-2H3;3-7H,1-2H3;3-5,7-9,11H,6H2,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;4-8H,1-3H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3-6H,1-2H3;12*1-2H3
InChIKeyUHQOBHLCVUVFIE-UHFFFAOYSA-N
XLogP43.43
TPSA123.53 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002058.42
LogP ≤ 543.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-tert-butylpyrimidine;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 159512011
2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-a]pyrimidine;2-propan-2-yl-1H-indene;2-propan-2-ylindolizine;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159787214
2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 58720010
2-propan-2-ylquinoline;6-propan-2-ylquinoline
CID 67193731
ethane;2-propan-2-ylimidazo[1,2-a]pyrazine;2-propan-2-ylimidazo[1,2-b]pyridazine;bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-3H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3H-pyrrolo[2,3-c]pyridine;2-propan-2-ylquinoline
CID 167664016
2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;3-tert-butyl-1H-1,8-naphthyridin-2-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;N-propan-2-yl-2,7-naphthyridin-1-amine;8-propan-2-yl-1,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one
CID 160764083
ethane;2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;6-propan-2-yl-3H-1,3-benzothiazol-2-one
CID 168996212
2-[1-[3-cyclohexyl-4-(quinolin-2-ylmethoxy)phenyl]propoxy]isoindole-1,3-dione
CID 139896166
2-tert-butyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine;methane;3-methyl-1H-1,8-naphthyridin-2-one;6-propan-2-yl-2,3-dihydro-1H-indolizin-5-one;3-propan-2-ylisoquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-yl-4H-naphthalen-1-one;N-propan-2-yl-2,7-naphthyridin-1-amine;1-propan-2-yl-2,7-naphthyridine;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;4-propan-2-yl-1,2-oxazole;1-propan-2-yloxyisoquinoline;1-propan-2-ylpiperidin-2-one;2-propan-2-ylquinazoline;8-propan-2-ylquinoline;3-propan-2-yl-1H-quinolin-2-one;3-propan-2-ylthiophene
CID 163889235
2,5-di(propan-2-yl)-2,3-dihydro-1H-indene;2,5-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)-1H-indene;2,6-di(propan-2-yl)indolizine;2,7-di(propan-2-yl)indolizine;ethane;methane
CID 157158345
2-[3-cyclohexyl-4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
CID 67739403
cumene;methane;1-methyl-2-propan-2-ylbenzimidazole;bis(2-propan-2-yl-1H-benzimidazole);bis(2-propan-2-yl-1,3-benzothiazole);2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylpyrazine;tetrakis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;tris(2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine)
CID 160848703

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 161094804) is tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1.CC(C)C1=CC2N=CC=CC2C1.CC(C)C1=Cc2ccccc2C1.CC(C)C1CCCCC1.CC(C)C1CCCCCC1.CC(C)N1C(=O)c2ccccc2C1=O.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2n1.CC(C)c1cn2c(n1)CCCC2.CC(C)c1cn2ccccc2n1.CC(C)c1ncccn1.
What is the InChIKey of tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is UHQOBHLCVUVFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C12H13N.C12H14.C11H11NO2.C11H15N.C10H16N2.C10H12N2.C10H14.C10H20.C9H18.C7H10N2.12C2H6/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-8(2)10-6-9-4-3-5-12-11(9)7-10;2*1-8(2)9-7-12-6-4-3-5-10(12)11-9;1-10(2,3)9-7-5-4-6-8-9;1-9(2)10-7-5-3-4-6-8-10;1-8(2)9-6-4-3-5-7-9;1-6(2)7-8-4-3-5-9-7;12*1-2/h3-10H,1-2H3;3-9H,1-2H3;3-7,9H,8H2,1-2H3;3-7H,1-2H3;3-5,7-9,11H,6H2,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;4-8H,1-3H3;9-10H,3-8H2,1-2H3;8-9H,3-7H2,1-2H3;3-6H,1-2H3;12*1-2H3.
What are the key properties of tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 2058.42 g/mol, XLogP of 43.43, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;ethane;6-propan-2-yl-5,7a-dihydro-4aH-cyclopenta[b]pyridine;propan-2-ylcycloheptane;propan-2-ylcyclohexane;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-1H-indene;2-propan-2-ylisoindole-1,3-dione;2-propan-2-ylnaphthalene;2-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 161094804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).