tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide

C180H304F3N13O14S4 — CID 158151107

IUPACtert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide
SMILESC=S(C)(=O)N1CC(C)C1.CCC1CCCN1C(=O)OC(C)(C)C.CCC1CCN(C(=O)OC(C)(C)C)CC1.CCCC(C)(F)F.CCCC1(OC)CC1.CCCC1CCC(C)(F)CC1.CCCC1CCCCC1.CCCC1CCCCO1.CCCN1CCCC1=O.CCCN1CCCS1(=O)=O.CCCSC.CCCc1ccc(C)cc1.CCCc1ccc(C)cc1.CCCc1ccccc1.CCCc1ccccn1.CCCc1ccco1.CCCn1ccccc1=O.CCc1cccc(C)c1.CCc1ccccc1.CCc1ccncc1.CCc1cnc(N(C)C)s1.CCc1cncnc1.COC(=O)N1CC(C)C1
InChIInChI=1S/C12H23NO2.C11H21NO2.C10H19F.2C10H14.C9H12.C9H18.C9H12.C8H11NO.C8H11N.C8H16O.C8H10.C7H12N2S.C7H13NO.C7H9N.C7H14O.C7H10O.C6H8N2.C6H13NO2S.C6H11NO2.C6H13NOS.C5H10F2.C4H10S/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-5-9-7-6-8-12(9)10(13)14-11(2,3)4;1-3-4-9-5-7-10(2,11)8-6-9;2*1-3-4-10-7-5-9(2)6-8-10;1-3-9-6-4-5-8(2)7-9;2*1-2-6-9-7-4-3-5-8-9;1-2-6-9-7-4-3-5-8(9)10;2*1-2-5-8-6-3-4-7-9-8;1-2-8-6-4-3-5-7-8;1-4-6-5-8-7(10-6)9(2)3;1-2-5-8-6-3-4-7(8)9;1-2-7-3-5-8-6-4-7;1-3-4-7(8-2)5-6-7;1-2-4-7-5-3-6-8-7;1-2-6-3-7-5-8-4-6;1-2-4-7-5-3-6-10(7,8)9;1-5-3-7(4-5)6(8)9-2;1-6-4-7(5-6)9(2,3)8;1-3-4-5(2,6)7;1-3-4-5-2/h10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,3-8H2,1-2H3;2*5-8H,3-4H2,1-2H3;4-7H,3H2,1-2H3;9H,2-8H2,1H3;3-5,7-8H,2,6H2,1H3;3-5,7H,2,6H2,1H3;3-4,6-7H,2,5H2,1H3;8H,2-7H2,1H3;3-7H,2H2,1H3;5H,4H2,1-3H3;2-6H2,1H3;3-6H,2H2,1H3;3-6H2,1-2H3;3,5-6H,2,4H2,1H3;3-5H,2H2,1H3;2-6H2,1H3;5H,3-4H2,1-2H3;6H,2,4-5H2,1,3H3;3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyFVCVOINSFSTNFC-UHFFFAOYSA-N
MW3059.75 g/mol
LogP47.11
Rot. Bonds38

About tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide

tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 158151107) has the molecular formula C180H304F3N13O14S4 and a molecular weight of 3059.75 g/mol. Its IUPAC name is tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Nametert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide
PubChem CID158151107
Molecular FormulaC180H304F3N13O14S4
Molecular Weight3059.75 g/mol
Exact Mass3057.23
IUPAC Nametert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide
SMILESC=S(C)(=O)N1CC(C)C1.CCC1CCCN1C(=O)OC(C)(C)C.CCC1CCN(C(=O)OC(C)(C)C)CC1.CCCC(C)(F)F.CCCC1(OC)CC1.CCCC1CCC(C)(F)CC1.CCCC1CCCCC1.CCCC1CCCCO1.CCCN1CCCC1=O.CCCN1CCCS1(=O)=O.CCCSC.CCCc1ccc(C)cc1.CCCc1ccc(C)cc1.CCCc1ccccc1.CCCc1ccccn1.CCCc1ccco1.CCCn1ccccc1=O.CCc1cccc(C)c1.CCc1ccccc1.CCc1ccncc1.CCc1cnc(N(C)C)s1.CCc1cncnc1.COC(=O)N1CC(C)C1
InChIInChI=1S/C12H23NO2.C11H21NO2.C10H19F.2C10H14.C9H12.C9H18.C9H12.C8H11NO.C8H11N.C8H16O.C8H10.C7H12N2S.C7H13NO.C7H9N.C7H14O.C7H10O.C6H8N2.C6H13NO2S.C6H11NO2.C6H13NOS.C5H10F2.C4H10S/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-5-9-7-6-8-12(9)10(13)14-11(2,3)4;1-3-4-9-5-7-10(2,11)8-6-9;2*1-3-4-10-7-5-9(2)6-8-10;1-3-9-6-4-5-8(2)7-9;2*1-2-6-9-7-4-3-5-8-9;1-2-6-9-7-4-3-5-8(9)10;2*1-2-5-8-6-3-4-7-9-8;1-2-8-6-4-3-5-7-8;1-4-6-5-8-7(10-6)9(2)3;1-2-5-8-6-3-4-7(8)9;1-2-7-3-5-8-6-4-7;1-3-4-7(8-2)5-6-7;1-2-4-7-5-3-6-8-7;1-2-6-3-7-5-8-4-6;1-2-4-7-5-3-6-10(7,8)9;1-5-3-7(4-5)6(8)9-2;1-6-4-7(5-6)9(2,3)8;1-3-4-5(2,6)7;1-3-4-5-2/h10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,3-8H2,1-2H3;2*5-8H,3-4H2,1-2H3;4-7H,3H2,1-2H3;9H,2-8H2,1H3;3-5,7-8H,2,6H2,1H3;3-5,7H,2,6H2,1H3;3-4,6-7H,2,5H2,1H3;8H,2-7H2,1H3;3-7H,2H2,1H3;5H,4H2,1-3H3;2-6H2,1H3;3-6H,2H2,1H3;3-6H2,1-2H3;3,5-6H,2,4H2,1H3;3-5H,2H2,1H3;2-6H2,1H3;5H,3-4H2,1-2H3;6H,2,4-5H2,1,3H3;3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyFVCVOINSFSTNFC-UHFFFAOYSA-N
XLogP47.11
TPSA287.91 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds38
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003059.75
LogP ≤ 547.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 6-methyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl 2-methylpyrrolidine-1-carboxylate;1,3-dimethylazetidine;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-4-methylbenzene;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;methyl 3-methylazetidine-1-carboxylate;2-methyloxane;(2S)-2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;3-methyl-4-(trifluoromethyl)pyridine;2,4,5-trimethyl-1,3-thiazole;bis(1,4-xylene)
CID 159114535
2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-fluorobenzene;1-ethyl-3-methylbenzene;1-ethyl-4-methylbenzene;2-ethyl-5-methyl-1,3,4-thiadiazole;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-fluoro-3-propylbenzene;1-(1-methoxyethenyl)-3-methylazetidine;1-methoxy-1-propylcyclopropane;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-lambda6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide
CID 159902607
tert-butyl 3-methylazetidine-1-carboxylate;tert-butyl 4-methylpiperidine-1-carboxylate;tert-butyl (2S)-2-methylpyrrolidine-1-carboxylate;2-chloro-5-methyl-1,3-thiazole;4-(1,1-difluoroethyl)-3-methylpyridine;3,6-dimethyl-3-azabicyclo[3.1.0]hexane;3,5-dimethylimidazo[1,2-a]pyridine;3,6-dimethylimidazo[1,2-a]pyridine;1,5-dimethylpyrazole;2,3-dimethylthiophene;2,5-dimethylthiophene;1-(1-methoxyethenyl)-3-methylazetidine;methoxymethane;2-methyl-1,3-benzothiazole;methylcyclohexane;methylcyclopentane;2-methylfuran;3-methylimidazo[1,2-a]pyridine;2-methyloxane;2-methyloxolane;4-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-methylpyridine;1-methylpyridin-2-one;1-methylpyrrolidin-2-one;methylsulfonylmethane;2,4,5-trimethyl-1,3-thiazole;1,4-xylene
CID 161129716
N-(benzenesulfonyl)-N,3-dimethylbutanamide;1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one;ethane;3-methylbutan-2-ylbenzene;3-methylbut-1-en-2-ylbenzene;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 157786272

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide (CID 158151107) is tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide is C=S(C)(=O)N1CC(C)C1.CCC1CCCN1C(=O)OC(C)(C)C.CCC1CCN(C(=O)OC(C)(C)C)CC1.CCCC(C)(F)F.CCCC1(OC)CC1.CCCC1CCC(C)(F)CC1.CCCC1CCCCC1.CCCC1CCCCO1.CCCN1CCCC1=O.CCCN1CCCS1(=O)=O.CCCSC.CCCc1ccc(C)cc1.CCCc1ccc(C)cc1.CCCc1ccccc1.CCCc1ccccn1.CCCc1ccco1.CCCn1ccccc1=O.CCc1cccc(C)c1.CCc1ccccc1.CCc1ccncc1.CCc1cnc(N(C)C)s1.CCc1cncnc1.COC(=O)N1CC(C)C1.
What is the InChIKey of tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is FVCVOINSFSTNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C11H21NO2.C10H19F.2C10H14.C9H12.C9H18.C9H12.C8H11NO.C8H11N.C8H16O.C8H10.C7H12N2S.C7H13NO.C7H9N.C7H14O.C7H10O.C6H8N2.C6H13NO2S.C6H11NO2.C6H13NOS.C5H10F2.C4H10S/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-5-9-7-6-8-12(9)10(13)14-11(2,3)4;1-3-4-9-5-7-10(2,11)8-6-9;2*1-3-4-10-7-5-9(2)6-8-10;1-3-9-6-4-5-8(2)7-9;2*1-2-6-9-7-4-3-5-8-9;1-2-6-9-7-4-3-5-8(9)10;2*1-2-5-8-6-3-4-7-9-8;1-2-8-6-4-3-5-7-8;1-4-6-5-8-7(10-6)9(2)3;1-2-5-8-6-3-4-7(8)9;1-2-7-3-5-8-6-4-7;1-3-4-7(8-2)5-6-7;1-2-4-7-5-3-6-8-7;1-2-6-3-7-5-8-4-6;1-2-4-7-5-3-6-10(7,8)9;1-5-3-7(4-5)6(8)9-2;1-6-4-7(5-6)9(2,3)8;1-3-4-5(2,6)7;1-3-4-5-2/h10H,5-9H2,1-4H3;9H,5-8H2,1-4H3;9H,3-8H2,1-2H3;2*5-8H,3-4H2,1-2H3;4-7H,3H2,1-2H3;9H,2-8H2,1H3;3-5,7-8H,2,6H2,1H3;3-5,7H,2,6H2,1H3;3-4,6-7H,2,5H2,1H3;8H,2-7H2,1H3;3-7H,2H2,1H3;5H,4H2,1-3H3;2-6H2,1H3;3-6H,2H2,1H3;3-6H2,1-2H3;3,5-6H,2,4H2,1H3;3-5H,2H2,1H3;2-6H2,1H3;5H,3-4H2,1-2H3;6H,2,4-5H2,1,3H3;3-4H2,1-2H3;3-4H2,1-2H3.
What are the key properties of tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide?
tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 3059.75 g/mol, XLogP of 47.11, 38 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethylpiperidine-1-carboxylate;tert-butyl 2-ethylpyrrolidine-1-carboxylate;2,2-difluoropentane;ethylbenzene;5-ethyl-N,N-dimethyl-1,3-thiazol-2-amine;1-ethyl-3-methylbenzene;4-ethylpyridine;5-ethylpyrimidine;1-fluoro-1-methyl-4-propylcyclohexane;1-methoxy-1-propylcyclopropane;methyl 3-methylazetidine-1-carboxylate;methyl-(3-methylazetidin-1-yl)-methylidene-oxo-λ6-sulfane;bis(1-methyl-4-propylbenzene);1-methylsulfanylpropane;propylbenzene;propylcyclohexane;2-propylfuran;2-propyloxane;2-propylpyridine;1-propylpyridin-2-one;1-propylpyrrolidin-2-one;2-propyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 158151107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).