butan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene

C222H425FN26O14S — CID 157162416

IUPACbutan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene
SMILESCC.CC(C)(C)C.CC(C)C.CC1CCCCC1.CC1CCOCC1.CCC.CCC(C)(C)C.CCC(C)C.CCC1CCN(C(=O)OC(C)(C)C)CC1.CCC1CCNCC1.CCC1CCOCC1.CCCC.CCCC#N.CCCCC.CCCCCc1ncccn1.CCCCCn1ccnc1.CCCCN.CCCCN1CCOCC1.CCCCNC(=O)OC(C)(C)C.CCCCNS(C)(=O)=O.CCCCc1ncc(F)cn1.CCCCc1ncccn1.CCCCn1ccnc1.CCCN.CCCN(C)C.CCCN1CCN(C)CC1.CCCNC.CCCO.CCCOCc1ccccc1.CCN1C(=O)N(C)C(C)(C)C1=O.CCc1cccc(C)c1.CCc1ccccc1.Cc1ccc(C(N)=O)cc1.Cc1ccccc1.Cc1ccncc1
InChIInChI=1S/C12H23NO2.C10H14O.C9H14N2.C9H19NO2.C9H12.C8H11FN2.C8H14N2O2.C8H18N2.C8H12N2.C8H14N2.C8H9NO.C8H17NO.C8H10.C7H12N2.C7H15N.C7H14O.C7H14.C7H8.C6H7N.C6H12O.C6H14.C5H13NO2S.C5H13N.3C5H12.2C4H11N.C4H7N.2C4H10.C3H9N.C3H8O.C3H8.C2H6/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-2-8-11-9-10-6-4-3-5-7-10;1-2-3-4-6-9-10-7-5-8-11-9;1-5-6-7-10-8(11)12-9(2,3)4;1-3-9-6-4-5-8(2)7-9;1-2-3-4-8-10-5-7(9)6-11-8;1-5-10-6(11)8(2,3)9(4)7(10)12;1-3-4-10-7-5-9(2)6-8-10;1-2-3-5-8-9-6-4-7-10-8;1-2-3-4-6-10-7-5-9-8-10;1-6-2-4-7(5-3-6)8(9)10;1-2-3-4-9-5-7-10-8-6-9;1-2-8-6-4-3-5-7-8;1-2-3-5-9-6-4-8-7-9;2*1-2-7-3-5-8-6-4-7;2*1-7-5-3-2-4-6-7;2*1-6-2-4-7-5-3-6;1-5-6(2,3)4;1-3-4-5-6-9(2,7)8;1-4-5-6(2)3;1-5(2,3)4;1-4-5(2)3;1-3-5-4-2;1-3-4-5-2;2*1-2-3-4-5;1-4(2)3;1-3-4-2;2*1-2-3-4;1-3-2;1-2/h10H,5-9H2,1-4H3;3-7H,2,8-9H2,1H3;5,7-8H,2-4,6H2,1H3;5-7H2,1-4H3,(H,10,11);4-7H,3H2,1-2H3;5-6H,2-4H2,1H3;5H2,1-4H3;3-8H2,1-2H3;4,6-7H,2-3,5H2,1H3;5,7-8H,2-4,6H2,1H3;2-5H,1H3,(H2,9,10);2-8H2,1H3;3-7H,2H2,1H3;4,6-7H,2-3,5H2,1H3;7-8H,2-6H2,1H3;7H,2-6H2,1H3;7H,2-6H2,1H3;2-6H,1H3;2-5H,1H3;6H,2-5H2,1H3;5H2,1-4H3;6H,3-5H2,1-2H3;4-5H2,1-3H3;1-4H3;5H,4H2,1-3H3;3-5H2,1-2H3;5H,3-4H2,1-2H3;2-5H2,1H3;2-3H2,1H3;4H,1-3H3;3-4H2,1-2H3;2-4H2,1H3;4H,2-3H2,1H3;3H2,1-2H3;1-2H3
InChIKeyAMNJZJKWMWDBTN-UHFFFAOYSA-N
MW3734.07 g/mol
LogP56.04
Rot. Bonds53

About butan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene

butan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene (PubChem CID 157162416) has the molecular formula C222H425FN26O14S and a molecular weight of 3734.07 g/mol. Its IUPAC name is butan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene.

Molecular Properties

Compound Namebutan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene
PubChem CID157162416
Molecular FormulaC222H425FN26O14S
Molecular Weight3734.07 g/mol
Exact Mass3731.30
IUPAC Namebutan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene
SMILESCC.CC(C)(C)C.CC(C)C.CC1CCCCC1.CC1CCOCC1.CCC.CCC(C)(C)C.CCC(C)C.CCC1CCN(C(=O)OC(C)(C)C)CC1.CCC1CCNCC1.CCC1CCOCC1.CCCC.CCCC#N.CCCCC.CCCCCc1ncccn1.CCCCCn1ccnc1.CCCCN.CCCCN1CCOCC1.CCCCNC(=O)OC(C)(C)C.CCCCNS(C)(=O)=O.CCCCc1ncc(F)cn1.CCCCc1ncccn1.CCCCn1ccnc1.CCCN.CCCN(C)C.CCCN1CCN(C)CC1.CCCNC.CCCO.CCCOCc1ccccc1.CCN1C(=O)N(C)C(C)(C)C1=O.CCc1cccc(C)c1.CCc1ccccc1.Cc1ccc(C(N)=O)cc1.Cc1ccccc1.Cc1ccncc1
InChIInChI=1S/C12H23NO2.C10H14O.C9H14N2.C9H19NO2.C9H12.C8H11FN2.C8H14N2O2.C8H18N2.C8H12N2.C8H14N2.C8H9NO.C8H17NO.C8H10.C7H12N2.C7H15N.C7H14O.C7H14.C7H8.C6H7N.C6H12O.C6H14.C5H13NO2S.C5H13N.3C5H12.2C4H11N.C4H7N.2C4H10.C3H9N.C3H8O.C3H8.C2H6/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-2-8-11-9-10-6-4-3-5-7-10;1-2-3-4-6-9-10-7-5-8-11-9;1-5-6-7-10-8(11)12-9(2,3)4;1-3-9-6-4-5-8(2)7-9;1-2-3-4-8-10-5-7(9)6-11-8;1-5-10-6(11)8(2,3)9(4)7(10)12;1-3-4-10-7-5-9(2)6-8-10;1-2-3-5-8-9-6-4-7-10-8;1-2-3-4-6-10-7-5-9-8-10;1-6-2-4-7(5-3-6)8(9)10;1-2-3-4-9-5-7-10-8-6-9;1-2-8-6-4-3-5-7-8;1-2-3-5-9-6-4-8-7-9;2*1-2-7-3-5-8-6-4-7;2*1-7-5-3-2-4-6-7;2*1-6-2-4-7-5-3-6;1-5-6(2,3)4;1-3-4-5-6-9(2,7)8;1-4-5-6(2)3;1-5(2,3)4;1-4-5(2)3;1-3-5-4-2;1-3-4-5-2;2*1-2-3-4-5;1-4(2)3;1-3-4-2;2*1-2-3-4;1-3-2;1-2/h10H,5-9H2,1-4H3;3-7H,2,8-9H2,1H3;5,7-8H,2-4,6H2,1H3;5-7H2,1-4H3,(H,10,11);4-7H,3H2,1-2H3;5-6H,2-4H2,1H3;5H2,1-4H3;3-8H2,1-2H3;4,6-7H,2-3,5H2,1H3;5,7-8H,2-4,6H2,1H3;2-5H,1H3,(H2,9,10);2-8H2,1H3;3-7H,2H2,1H3;4,6-7H,2-3,5H2,1H3;7-8H,2-6H2,1H3;7H,2-6H2,1H3;7H,2-6H2,1H3;2-6H,1H3;2-5H,1H3;6H,2-5H2,1H3;5H2,1-4H3;6H,3-5H2,1-2H3;4-5H2,1-3H3;1-4H3;5H,4H2,1-3H3;3-5H2,1-2H3;5H,3-4H2,1-2H3;2-5H2,1H3;2-3H2,1H3;4H,1-3H3;3-4H2,1-2H3;2-4H2,1H3;4H,2-3H2,1H3;3H2,1-2H3;1-2H3
InChIKeyAMNJZJKWMWDBTN-UHFFFAOYSA-N
XLogP56.04
TPSA493.62 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds53
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003734.07
LogP ≤ 556.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze butan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of butan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene?
The IUPAC name of butan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene (CID 157162416) is butan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene.
What is the SMILES notation for butan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene?
The canonical SMILES for butan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene is CC.CC(C)(C)C.CC(C)C.CC1CCCCC1.CC1CCOCC1.CCC.CCC(C)(C)C.CCC(C)C.CCC1CCN(C(=O)OC(C)(C)C)CC1.CCC1CCNCC1.CCC1CCOCC1.CCCC.CCCC#N.CCCCC.CCCCCc1ncccn1.CCCCCn1ccnc1.CCCCN.CCCCN1CCOCC1.CCCCNC(=O)OC(C)(C)C.CCCCNS(C)(=O)=O.CCCCc1ncc(F)cn1.CCCCc1ncccn1.CCCCn1ccnc1.CCCN.CCCN(C)C.CCCN1CCN(C)CC1.CCCNC.CCCO.CCCOCc1ccccc1.CCN1C(=O)N(C)C(C)(C)C1=O.CCc1cccc(C)c1.CCc1ccccc1.Cc1ccc(C(N)=O)cc1.Cc1ccccc1.Cc1ccncc1.
What is the InChIKey of butan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene?
The InChIKey is AMNJZJKWMWDBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.C10H14O.C9H14N2.C9H19NO2.C9H12.C8H11FN2.C8H14N2O2.C8H18N2.C8H12N2.C8H14N2.C8H9NO.C8H17NO.C8H10.C7H12N2.C7H15N.C7H14O.C7H14.C7H8.C6H7N.C6H12O.C6H14.C5H13NO2S.C5H13N.3C5H12.2C4H11N.C4H7N.2C4H10.C3H9N.C3H8O.C3H8.C2H6/c1-5-10-6-8-13(9-7-10)11(14)15-12(2,3)4;1-2-8-11-9-10-6-4-3-5-7-10;1-2-3-4-6-9-10-7-5-8-11-9;1-5-6-7-10-8(11)12-9(2,3)4;1-3-9-6-4-5-8(2)7-9;1-2-3-4-8-10-5-7(9)6-11-8;1-5-10-6(11)8(2,3)9(4)7(10)12;1-3-4-10-7-5-9(2)6-8-10;1-2-3-5-8-9-6-4-7-10-8;1-2-3-4-6-10-7-5-9-8-10;1-6-2-4-7(5-3-6)8(9)10;1-2-3-4-9-5-7-10-8-6-9;1-2-8-6-4-3-5-7-8;1-2-3-5-9-6-4-8-7-9;2*1-2-7-3-5-8-6-4-7;2*1-7-5-3-2-4-6-7;2*1-6-2-4-7-5-3-6;1-5-6(2,3)4;1-3-4-5-6-9(2,7)8;1-4-5-6(2)3;1-5(2,3)4;1-4-5(2)3;1-3-5-4-2;1-3-4-5-2;2*1-2-3-4-5;1-4(2)3;1-3-4-2;2*1-2-3-4;1-3-2;1-2/h10H,5-9H2,1-4H3;3-7H,2,8-9H2,1H3;5,7-8H,2-4,6H2,1H3;5-7H2,1-4H3,(H,10,11);4-7H,3H2,1-2H3;5-6H,2-4H2,1H3;5H2,1-4H3;3-8H2,1-2H3;4,6-7H,2-3,5H2,1H3;5,7-8H,2-4,6H2,1H3;2-5H,1H3,(H2,9,10);2-8H2,1H3;3-7H,2H2,1H3;4,6-7H,2-3,5H2,1H3;7-8H,2-6H2,1H3;7H,2-6H2,1H3;7H,2-6H2,1H3;2-6H,1H3;2-5H,1H3;6H,2-5H2,1H3;5H2,1-4H3;6H,3-5H2,1-2H3;4-5H2,1-3H3;1-4H3;5H,4H2,1-3H3;3-5H2,1-2H3;5H,3-4H2,1-2H3;2-5H2,1H3;2-3H2,1H3;4H,1-3H3;3-4H2,1-2H3;2-4H2,1H3;4H,2-3H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of butan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene?
butan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene has a molecular weight of 3734.07 g/mol, XLogP of 56.04, 53 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;butane;butanenitrile;tert-butyl N-butylcarbamate;tert-butyl 4-ethylpiperidine-1-carboxylate;2-butyl-5-fluoropyrimidine;1-butylimidazole;N-butylmethanesulfonamide;4-butylmorpholine;2-butylpyrimidine;2,2-dimethylbutane;N,N-dimethylpropan-1-amine;2,2-dimethylpropane;ethane;ethylbenzene;1-ethyl-3-methylbenzene;4-ethyloxane;4-ethylpiperidine;3-ethyl-1,5,5-trimethylimidazolidine-2,4-dione;4-methylbenzamide;2-methylbutane;methylcyclohexane;4-methyloxane;N-methylpropan-1-amine;2-methylpropane;1-methyl-4-propylpiperazine;4-methylpyridine;pentane;1-pentylimidazole;2-pentylpyrimidine;propan-1-amine;propane;propan-1-ol;propoxymethylbenzene;toluene is sourced from PubChem (CID 157162416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).