(3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine

C156H291F2N23O15 — CID 158244674

IUPAC(3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine
SMILESCC(C)N(C)C[C@@H]1CCN(C)C1.CC(C)N(C)C[C@@H]1CCOC1.CC(C)N(C)C[C@H]1CCCO1.CC(C)N(C)C[C@H]1CCN(C)C1.CC(C)N1CC(N(C)C)C1.CC(C)NC[C@@H]1CCOC1.CC(C)NC[C@H]1CCCO1.CC(C)OCCCN(C)C.CC(C)OCc1ccccc1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.CC(C)OCc1cccnc1.CC(C)OCc1ccncn1.CC(C)OCc1cnc[nH]1.CC(C)OCc1cncnc1.CC(C)OCc1ncc[nH]1.CC(C)O[C@@H]1CN(C)C[C@H]1C(F)F.CC(C)O[C@H]1CN(C)C[C@@H]1C
InChIInChI=1S/2C10H22N2.2C10H14O.C9H17F2NO.3C9H19NO.2C9H13NO.2C8H12N2O.C8H18N2.2C8H17NO.C8H19NO.2C7H12N2O/c2*1-9(2)12(4)8-10-5-6-11(3)7-10;2*1-9(2)11-8-10-6-4-3-5-7-10;1-6(2)13-8-5-12(3)4-7(8)9(10)11;1-7(2)11-9-6-10(4)5-8(9)3;1-8(2)10(3)6-9-4-5-11-7-9;1-8(2)10(3)7-9-5-4-6-11-9;1-8(2)11-7-9-4-3-5-10-6-9;1-8(2)11-7-9-5-3-4-6-10-9;1-7(2)11-5-8-3-9-6-10-4-8;1-7(2)11-5-8-3-4-9-6-10-8;1-7(2)10-5-8(6-10)9(3)4;1-7(2)9-5-8-3-4-10-6-8;1-7(2)9-6-8-4-3-5-10-8;1-8(2)10-7-5-6-9(3)4;1-6(2)10-4-7-3-8-5-9-7;1-6(2)10-5-7-8-3-4-9-7/h2*9-10H,5-8H2,1-4H3;2*3-7,9H,8H2,1-2H3;6-9H,4-5H2,1-3H3;7-9H,5-6H2,1-4H3;2*8-9H,4-7H2,1-3H3;2*3-6,8H,7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;7-8H,5-6H2,1-4H3;2*7-9H,3-6H2,1-2H3;8H,5-7H2,1-4H3;3,5-6H,4H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3,(H,8,9)/t2*10-;;;7-,8-;8-,9-;2*9-;;;;;;2*8-;;;/m10..1001.....01.../s1
InChIKeyGFYXRELZLRZVNK-HIORKTPVSA-N
MW2767.19 g/mol
LogP27.29
Rot. Bonds54

About (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine

(3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine (PubChem CID 158244674) has the molecular formula C156H291F2N23O15 and a molecular weight of 2767.19 g/mol. Its IUPAC name is (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine.

Molecular Properties

Compound Name(3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine
PubChem CID158244674
Molecular FormulaC156H291F2N23O15
Molecular Weight2767.19 g/mol
Exact Mass2765.27
IUPAC Name(3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine
SMILESCC(C)N(C)C[C@@H]1CCN(C)C1.CC(C)N(C)C[C@@H]1CCOC1.CC(C)N(C)C[C@H]1CCCO1.CC(C)N(C)C[C@H]1CCN(C)C1.CC(C)N1CC(N(C)C)C1.CC(C)NC[C@@H]1CCOC1.CC(C)NC[C@H]1CCCO1.CC(C)OCCCN(C)C.CC(C)OCc1ccccc1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.CC(C)OCc1cccnc1.CC(C)OCc1ccncn1.CC(C)OCc1cnc[nH]1.CC(C)OCc1cncnc1.CC(C)OCc1ncc[nH]1.CC(C)O[C@@H]1CN(C)C[C@H]1C(F)F.CC(C)O[C@H]1CN(C)C[C@@H]1C
InChIInChI=1S/2C10H22N2.2C10H14O.C9H17F2NO.3C9H19NO.2C9H13NO.2C8H12N2O.C8H18N2.2C8H17NO.C8H19NO.2C7H12N2O/c2*1-9(2)12(4)8-10-5-6-11(3)7-10;2*1-9(2)11-8-10-6-4-3-5-7-10;1-6(2)13-8-5-12(3)4-7(8)9(10)11;1-7(2)11-9-6-10(4)5-8(9)3;1-8(2)10(3)6-9-4-5-11-7-9;1-8(2)10(3)7-9-5-4-6-11-9;1-8(2)11-7-9-4-3-5-10-6-9;1-8(2)11-7-9-5-3-4-6-10-9;1-7(2)11-5-8-3-9-6-10-4-8;1-7(2)11-5-8-3-4-9-6-10-8;1-7(2)10-5-8(6-10)9(3)4;1-7(2)9-5-8-3-4-10-6-8;1-7(2)9-6-8-4-3-5-10-8;1-8(2)10-7-5-6-9(3)4;1-6(2)10-4-7-3-8-5-9-7;1-6(2)10-5-7-8-3-4-9-7/h2*9-10H,5-8H2,1-4H3;2*3-7,9H,8H2,1-2H3;6-9H,4-5H2,1-3H3;7-9H,5-6H2,1-4H3;2*8-9H,4-7H2,1-3H3;2*3-6,8H,7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;7-8H,5-6H2,1-4H3;2*7-9H,3-6H2,1-2H3;8H,5-7H2,1-4H3;3,5-6H,4H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3,(H,8,9)/t2*10-;;;7-,8-;8-,9-;2*9-;;;;;;2*8-;;;/m10..1001.....01.../s1
InChIKeyGFYXRELZLRZVNK-HIORKTPVSA-N
XLogP27.29
TPSA332.85 Ų
H-Bond Donors4
H-Bond Acceptors36
Rotatable Bonds54
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002767.19
LogP ≤ 527.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[[[4-[3-[[2-[[[4-[3-[[2-[[3-[[2-[(2-fluoro-2-methylpropoxy)-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]methoxy-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]oxolan-2-yl]methylamino]-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]oxolan-2-yl]methylamino]-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N',3-dimethylbut-2-enimidamide
CID 91050275
3-(difluoromethoxy)-5-[2-(3,3-difluoropyrrolidin-1-yl)-6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimidin-4-yl]pyridin-2-amine;bis(3-(difluoromethoxy)-5-[2-(3-fluoro-4-methylpyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine)
CID 160926409
[4-(6-Amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]methanol;bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol);bis([1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-cyclopropylmethanol);1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]-2-methylpropan-1-ol;1-[1-(1-bicyclo[1.1.1]pentanyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-2-yl]propan-1-ol;3-methyl-5-[1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-(phenylmethoxymethyl)imidazol-4-yl]pyridin-2-amine
CID 160992704
CID 162257087
CID 162257087
N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyrazin-2-amine;N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 162265138
bis((3R)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine);(3S)-1-tert-butyl-3-[(3-ethylpyrrol-1-yl)methyl]piperidine;(3S)-1-tert-butyl-3-(1H-imidazol-5-ylmethyl)piperidine;1-tert-butyl-3-phenoxypiperidine;5-(1-tert-butylpiperidin-3-yl)oxy-2-methylpyridine;(3S)-1-tert-butyl-3-[(2,4,5-trimethylimidazol-1-yl)methyl]piperidine
CID 157150074
1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;3-(2-propan-2-yloxyethyl)pyridine;5-(propan-2-yloxymethyl)-1H-imidazole;4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-2H-tetrazole;1-(propan-2-yloxymethyl)-2H-tetrazol-1-ium;4-(propan-2-yloxymethyl)-2H-triazole
CID 159153305
ethane;2-(3-methylbutyl)-1H-imidazole;5-(3-methylbutyl)-1H-imidazole;1-(3-methylbutyl)pyrrolidine;2-methylhexane;(3S)-1-methyl-3-propan-2-ylpyrrolidine;(2R)-2-(2-methylpropyl)azetidine;(2S)-2-(2-methylpropyl)azetidine;bis(2-methylpropylcyclopentane);2-(2-methylpropyl)-4,5-dihydro-1H-imidazole;2-(2-methylpropyl)-1H-imidazole;5-(2-methylpropyl)-1H-imidazole;(2R)-2-(2-methylpropyl)morpholine;(3S)-3-(2-methylpropyl)oxane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;(3R)-3-propan-2-ylpiperidine;(3S)-3-propan-2-ylpiperidine;4-propan-2-ylpyridine;(3S)-3-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;N,N,3-trimethylbutan-1-amine
CID 160521422
CID 160672745
CID 160672745
1,4-dimethyl-2-(propan-2-yloxymethyl)piperazine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(propan-2-yloxymethyl)piperazine;2-propan-2-yloxyethylbenzene;bis(5-(propan-2-yloxymethyl)-1H-imidazole);4-(propan-2-yloxymethyl)pyridine;5-(propan-2-yloxymethyl)-1H-1,2,4-triazole;2-(propan-2-yloxymethyl)-1H-1,2,4-triazol-2-ium
CID 161041063
(3S,4S)-3-N,3-N-diethyl-4-N-propan-2-yloxolane-3,4-diamine;(4R)-3-N,3-N-diethyl-4-N-propan-2-yloxolane-3,4-diamine;1-(3-methylbutyl)-4,5-dihydroimidazol-2-amine;N-[(4-methylmorpholin-3-yl)methyl]propan-2-amine;2-(4-methylpentyl)pyrazine;3-(4-methylpentyl)pyridine;4-(4-methylpentyl)pyridine;2-(4-methylpentyl)pyrimidine;2-methyl-N-propan-2-ylpropan-1-amine;4-(2-methylpropyl)oxane;3-(2-methylpropyl)oxolane;1-(2-methylpropyl)piperidine;N-(2-methylpropyl)pyrimidin-2-amine;3-methylpyridine;N-(oxan-2-ylmethyl)propan-2-amine;N-(oxetan-3-ylmethyl)propan-2-amine;N-[2-(oxolan-2-yl)ethyl]propan-2-amine;N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-propan-2-ylpropan-2-amine;N'-propan-2-yl-N-pyridin-2-ylpropane-1,3-diamine;N-(pyridin-2-ylmethyl)propan-2-amine;N-(pyridin-3-ylmethyl)propan-2-amine
CID 161502522
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-phenylbutan-2-yl)pyrimidin-2-amine;4-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-2-[2-(1H-imidazol-5-yl)ethoxy]pyrimidine;4-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-2-(pyridin-3-ylmethoxy)pyrimidine;4-[5-(4-fluorophenyl)-3-[(3-methylphenyl)methyl]imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 163588116

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine?
The IUPAC name of (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine (CID 158244674) is (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine.
What is the SMILES notation for (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine?
The canonical SMILES for (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine is CC(C)N(C)C[C@@H]1CCN(C)C1.CC(C)N(C)C[C@@H]1CCOC1.CC(C)N(C)C[C@H]1CCCO1.CC(C)N(C)C[C@H]1CCN(C)C1.CC(C)N1CC(N(C)C)C1.CC(C)NC[C@@H]1CCOC1.CC(C)NC[C@H]1CCCO1.CC(C)OCCCN(C)C.CC(C)OCc1ccccc1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.CC(C)OCc1cccnc1.CC(C)OCc1ccncn1.CC(C)OCc1cnc[nH]1.CC(C)OCc1cncnc1.CC(C)OCc1ncc[nH]1.CC(C)O[C@@H]1CN(C)C[C@H]1C(F)F.CC(C)O[C@H]1CN(C)C[C@@H]1C.
What is the InChIKey of (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine?
The InChIKey is GFYXRELZLRZVNK-HIORKTPVSA-N. The full InChI is InChI=1S/2C10H22N2.2C10H14O.C9H17F2NO.3C9H19NO.2C9H13NO.2C8H12N2O.C8H18N2.2C8H17NO.C8H19NO.2C7H12N2O/c2*1-9(2)12(4)8-10-5-6-11(3)7-10;2*1-9(2)11-8-10-6-4-3-5-7-10;1-6(2)13-8-5-12(3)4-7(8)9(10)11;1-7(2)11-9-6-10(4)5-8(9)3;1-8(2)10(3)6-9-4-5-11-7-9;1-8(2)10(3)7-9-5-4-6-11-9;1-8(2)11-7-9-4-3-5-10-6-9;1-8(2)11-7-9-5-3-4-6-10-9;1-7(2)11-5-8-3-9-6-10-4-8;1-7(2)11-5-8-3-4-9-6-10-8;1-7(2)10-5-8(6-10)9(3)4;1-7(2)9-5-8-3-4-10-6-8;1-7(2)9-6-8-4-3-5-10-8;1-8(2)10-7-5-6-9(3)4;1-6(2)10-4-7-3-8-5-9-7;1-6(2)10-5-7-8-3-4-9-7/h2*9-10H,5-8H2,1-4H3;2*3-7,9H,8H2,1-2H3;6-9H,4-5H2,1-3H3;7-9H,5-6H2,1-4H3;2*8-9H,4-7H2,1-3H3;2*3-6,8H,7H2,1-2H3;2*3-4,6-7H,5H2,1-2H3;7-8H,5-6H2,1-4H3;2*7-9H,3-6H2,1-2H3;8H,5-7H2,1-4H3;3,5-6H,4H2,1-2H3,(H,8,9);3-4,6H,5H2,1-2H3,(H,8,9)/t2*10-;;;7-,8-;8-,9-;2*9-;;;;;;2*8-;;;/m10..1001.....01.../s1.
What are the key properties of (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine?
(3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine has a molecular weight of 2767.19 g/mol, XLogP of 27.29, 54 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(difluoromethyl)-1-methyl-4-propan-2-yloxypyrrolidine;N,N-dimethyl-1-propan-2-ylazetidin-3-amine;N,N-dimethyl-3-propan-2-yloxypropan-1-amine;(3S,4R)-1,3-dimethyl-4-propan-2-yloxypyrrolidine;N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]propan-2-amine;N-methyl-N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-methyl-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;N-[[(2R)-oxolan-2-yl]methyl]propan-2-amine;N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine;bis(propan-2-yloxymethylbenzene);2-(propan-2-yloxymethyl)-1H-imidazole;5-(propan-2-yloxymethyl)-1H-imidazole;2-(propan-2-yloxymethyl)pyridine;3-(propan-2-yloxymethyl)pyridine;4-(propan-2-yloxymethyl)pyrimidine;5-(propan-2-yloxymethyl)pyrimidine is sourced from PubChem (CID 158244674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).