1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium

C218H393N24O+15 — CID 159993631

IUPAC1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)[N+]1(C(C)C)CCCC1.CC(C)[N+]12CCC(CC1)CC2.CC(C)[n+]1ccc2[nH]ccc2c1.CC(C)[n+]1ccc2c(c1)N=CC2.CC(C)[n+]1ccc2cc[nH]c2c1.CC(C)[n+]1ccc2ccccc2c1.CC(C)[n+]1ccc2cn[nH]c2c1.CC(C)[n+]1cccc2c1C=CC2.CC(C)[n+]1cccc2c1C=NC2.CC(C)[n+]1cccc2c1CCC2.CC(C)[n+]1cccc2c1N=CC2.CC(C)[n+]1cccc2ccccc21.CC(C)[n+]1cccc2ccoc21.CC(C)[n+]1cccc2cn[nH]c21.CC(C)[n+]1ccccc1
InChIInChI=1S/2C12H14N.C11H16N.C11H14N.C10H12N2.C10H13N2.C10H12N2.2C10H13N2.C10H12NO.C10H20N.C10H22N.2C9H11N3.C8H12N.14C4H10.10CH4/c1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;2*1-9(2)12-8-4-6-10-5-3-7-11(10)12;1-8(2)12-6-4-10-9(7-12)3-5-11-10;2*1-8(2)12-6-4-9-3-5-11-10(9)7-12;1-8(2)12-7-3-4-9-5-6-11-10(9)12;1-8(2)12-5-3-4-9-6-11-7-10(9)12;1-8(2)11-6-3-4-9-5-7-12-10(9)11;1-9(2)11-6-3-10(4-7-11)5-8-11;1-9(2)11(10(3)4)7-5-6-8-11;1-7(2)12-4-3-8-5-10-11-9(8)6-12;1-7(2)12-5-3-4-8-6-10-11-9(8)12;1-8(2)9-6-4-3-5-7-9;14*1-4(2)3;;;;;;;;;;/h2*3-10H,1-2H3;4,6,8-9H,3,5,7H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-8H,1-2H3;4-8H,3H2,1-2H3;3-8H,1-2H3;3-4,6-8H,5H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-8H,1-2H3;9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;2*3-7H,1-2H3;3-8H,1-2H3;14*4H,1-3H3;10*1H4/q4*+1;;+1;;5*+1;;;+1;;;;;;;;;;;;;;;;;;;;;;;;/p+4
InChIKeyOHGOWIKMHAKJAF-UHFFFAOYSA-R
MW3366.71 g/mol
LogP59.56
Rot. Bonds16

About 1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium

1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium (PubChem CID 159993631) has the molecular formula C218H393N24O+15 and a molecular weight of 3366.71 g/mol. Its IUPAC name is 1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium.

Molecular Properties

Compound Name1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium
PubChem CID159993631
Molecular FormulaC218H393N24O+15
Molecular Weight3366.71 g/mol
Exact Mass3364.14
IUPAC Name1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)[N+]1(C(C)C)CCCC1.CC(C)[N+]12CCC(CC1)CC2.CC(C)[n+]1ccc2[nH]ccc2c1.CC(C)[n+]1ccc2c(c1)N=CC2.CC(C)[n+]1ccc2cc[nH]c2c1.CC(C)[n+]1ccc2ccccc2c1.CC(C)[n+]1ccc2cn[nH]c2c1.CC(C)[n+]1cccc2c1C=CC2.CC(C)[n+]1cccc2c1C=NC2.CC(C)[n+]1cccc2c1CCC2.CC(C)[n+]1cccc2c1N=CC2.CC(C)[n+]1cccc2ccccc21.CC(C)[n+]1cccc2ccoc21.CC(C)[n+]1cccc2cn[nH]c21.CC(C)[n+]1ccccc1
InChIInChI=1S/2C12H14N.C11H16N.C11H14N.C10H12N2.C10H13N2.C10H12N2.2C10H13N2.C10H12NO.C10H20N.C10H22N.2C9H11N3.C8H12N.14C4H10.10CH4/c1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;2*1-9(2)12-8-4-6-10-5-3-7-11(10)12;1-8(2)12-6-4-10-9(7-12)3-5-11-10;2*1-8(2)12-6-4-9-3-5-11-10(9)7-12;1-8(2)12-7-3-4-9-5-6-11-10(9)12;1-8(2)12-5-3-4-9-6-11-7-10(9)12;1-8(2)11-6-3-4-9-5-7-12-10(9)11;1-9(2)11-6-3-10(4-7-11)5-8-11;1-9(2)11(10(3)4)7-5-6-8-11;1-7(2)12-4-3-8-5-10-11-9(8)6-12;1-7(2)12-5-3-4-8-6-10-11-9(8)12;1-8(2)9-6-4-3-5-7-9;14*1-4(2)3;;;;;;;;;;/h2*3-10H,1-2H3;4,6,8-9H,3,5,7H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-8H,1-2H3;4-8H,3H2,1-2H3;3-8H,1-2H3;3-4,6-8H,5H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-8H,1-2H3;9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;2*3-7H,1-2H3;3-8H,1-2H3;14*4H,1-3H3;10*1H4/q4*+1;;+1;;5*+1;;;+1;;;;;;;;;;;;;;;;;;;;;;;;/p+4
InChIKeyOHGOWIKMHAKJAF-UHFFFAOYSA-R
XLogP59.56
TPSA189.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms243
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003366.71
LogP ≤ 559.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium with MolForge

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Related Compounds

N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136506881
N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137488832
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 136213911
N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137056575
N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 137056588
N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137056591
1-cyclopentyl-N-[[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine
CID 137056592
N-[5-[4-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137056606
N-[5-[7-[4-[2-[(4Z,5E)-4-[(E)-2-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-fluorobut-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-4-fluoro-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-6-methyl-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 145034162
N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]furan-3-yl]-3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 145034593
N-[5-[7-fluoro-8-[4-[2-[6-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-3-yl]-3,4-dihydroimidazo[4,5-b]azepin-8-yl]furan-2-yl]-4-[7-(furan-3-yl)-3H-imidazo[4,5-b]pyridin-2-yl]-1,2-dihydrocinnolin-6-yl]-3-pyridinyl]benzamide
CID 145037079
N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 145037485

Frequently Asked Questions

What is the IUPAC name of 1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium?
The IUPAC name of 1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium (CID 159993631) is 1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium.
What is the SMILES notation for 1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium?
The canonical SMILES for 1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium is C.C.C.C.C.C.C.C.C.C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)[N+]1(C(C)C)CCCC1.CC(C)[N+]12CCC(CC1)CC2.CC(C)[n+]1ccc2[nH]ccc2c1.CC(C)[n+]1ccc2c(c1)N=CC2.CC(C)[n+]1ccc2cc[nH]c2c1.CC(C)[n+]1ccc2ccccc2c1.CC(C)[n+]1ccc2cn[nH]c2c1.CC(C)[n+]1cccc2c1C=CC2.CC(C)[n+]1cccc2c1C=NC2.CC(C)[n+]1cccc2c1CCC2.CC(C)[n+]1cccc2c1N=CC2.CC(C)[n+]1cccc2ccccc21.CC(C)[n+]1cccc2ccoc21.CC(C)[n+]1cccc2cn[nH]c21.CC(C)[n+]1ccccc1.
What is the InChIKey of 1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium?
The InChIKey is OHGOWIKMHAKJAF-UHFFFAOYSA-R. The full InChI is InChI=1S/2C12H14N.C11H16N.C11H14N.C10H12N2.C10H13N2.C10H12N2.2C10H13N2.C10H12NO.C10H20N.C10H22N.2C9H11N3.C8H12N.14C4H10.10CH4/c1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;2*1-9(2)12-8-4-6-10-5-3-7-11(10)12;1-8(2)12-6-4-10-9(7-12)3-5-11-10;2*1-8(2)12-6-4-9-3-5-11-10(9)7-12;1-8(2)12-7-3-4-9-5-6-11-10(9)12;1-8(2)12-5-3-4-9-6-11-7-10(9)12;1-8(2)11-6-3-4-9-5-7-12-10(9)11;1-9(2)11-6-3-10(4-7-11)5-8-11;1-9(2)11(10(3)4)7-5-6-8-11;1-7(2)12-4-3-8-5-10-11-9(8)6-12;1-7(2)12-5-3-4-8-6-10-11-9(8)12;1-8(2)9-6-4-3-5-7-9;14*1-4(2)3;;;;;;;;;;/h2*3-10H,1-2H3;4,6,8-9H,3,5,7H2,1-2H3;3-4,6-9H,5H2,1-2H3;3-8H,1-2H3;4-8H,3H2,1-2H3;3-8H,1-2H3;3-4,6-8H,5H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-8H,1-2H3;9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;2*3-7H,1-2H3;3-8H,1-2H3;14*4H,1-3H3;10*1H4/q4*+1;;+1;;5*+1;;;+1;;;;;;;;;;;;;;;;;;;;;;;;/p+4.
What are the key properties of 1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium?
1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium has a molecular weight of 3366.71 g/mol, XLogP of 59.56, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(propan-2-yl)pyrrolidin-1-ium;methane;tetradecakis(2-methylpropane);1-propan-2-yl-1-azoniabicyclo[2.2.2]octane;1-propan-2-yl-5H-cyclopenta[b]pyridin-1-ium;1-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium;7-propan-2-ylfuro[2,3-b]pyridin-7-ium;2-propan-2-ylisoquinolin-2-ium;7-propan-2-yl-1H-pyrazolo[5,4-b]pyridin-7-ium;6-propan-2-yl-1H-pyrazolo[5,4-c]pyridin-6-ium;1-propan-2-ylpyridin-1-ium;1-propan-2-yl-5H-pyrrolo[3,4-b]pyridin-1-ium;7-propan-2-yl-3H-pyrrolo[2,3-b]pyridin-7-ium;5-propan-2-yl-1H-pyrrolo[3,2-c]pyridin-5-ium;6-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-6-ium;6-propan-2-yl-3H-pyrrolo[2,3-c]pyridin-6-ium;1-propan-2-ylquinolin-1-ium is sourced from PubChem (CID 159993631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).