4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine

C197H381N61O2S+2 — CID 159317994

IUPAC4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine
SMILESC=C1N=CC(C(C)C)=N1.C=C1N=CC=C(C(C)C)N1.C=C1NCC(C(C)C)N1.C=Cc1cn(C(C)C)nn1.CC(C)/N=C(\N)N1CCN(C)CC1.CC(C)C1CCN=C(N)N1.CC(C)C1CN(C)CCO1.CC(C)N1CCCCC1.CC(C)N1CC[N+](C)(C)CC1.CC(C)Nc1nc2ccccc2[nH]1.CC(C)Nc1ncc[nH]1.CC(C)Nc1ncc[nH]1.CC(C)Nc1ncccn1.CC(C)Nc1ncco1.CC(C)Nc1nccs1.CC/C(N)=N\C(C)(C)C.CCC/N=C(\N)NC(C)(C)C.CCCNC1=NCCN1C(C)(C)C.CCC[N+]1(C)CCN(C(C)(C)C)CC1.CCCc1cn(C(C)(C)C)nn1.CCCc1cn(C(C)C)nn1.Cc1nccc(C(C)C)n1.[H]/N=C(\C)C(C)C.[H]/N=C(\C)N1CCN(C(C)C)CC1.[H]/N=C1\N(CCC)CCN1C(C)(C)C
InChIInChI=1S/C12H27N2.C10H13N3.2C10H21N3.C9H20N4.C9H19N3.C9H17N3.C9H21N2.C8H15N3.C8H19N3.2C8H12N2.C8H17NO.C8H17N.C7H11N3.C7H15N3.C7H11N3.C7H14N2.C7H10N2.C7H16N2.2C6H11N3.C6H10N2O.C6H10N2S.C5H11N/c1-6-9-14(5)10-7-13(8-11-14)12(2,3)4;1-7(2)11-10-12-8-5-3-4-6-9(8)13-10;1-5-6-12-7-8-13(9(12)11)10(2,3)4;1-5-6-11-9-12-7-8-13(9)10(2,3)4;1-8(2)11-9(10)13-6-4-12(3)5-7-13;1-8(2)11-4-6-12(7-5-11)9(3)10;1-5-6-8-7-12(11-10-8)9(2,3)4;1-9(2)10-5-7-11(3,4)8-6-10;1-4-5-8-6-11(7(2)3)10-9-8;1-5-6-10-7(9)11-8(2,3)4;2*1-6(2)8-4-5-9-7(3)10-8;1-7(2)8-6-9(3)4-5-10-8;1-8(2)9-6-4-3-5-7-9;1-6(2)10-7-8-4-3-5-9-7;1-5(2)6-3-4-9-7(8)10-6;1-4-7-5-10(6(2)3)9-8-7;2*1-5(2)7-4-8-6(3)9-7;1-5-6(8)9-7(2,3)4;2*1-5(2)9-6-7-3-4-8-6;2*1-5(2)8-6-7-3-4-9-6;1-4(2)5(3)6/h6-11H2,1-5H3;3-7H,1-2H3,(H2,11,12,13);11H,5-8H2,1-4H3;5-8H2,1-4H3,(H,11,12);8H,4-7H2,1-3H3,(H2,10,11);8,10H,4-7H2,1-3H3;7H,5-6H2,1-4H3;9H,5-8H2,1-4H3;6-7H,4-5H2,1-3H3;5-6H2,1-4H3,(H3,9,10,11);4-6H,1-3H3;4-6,10H,3H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;3-6H,1-2H3,(H,8,9,10);5-6H,3-4H2,1-2H3,(H3,8,9,10);4-6H,1H2,2-3H3;5,7-9H,3-4H2,1-2H3;4-5H,3H2,1-2H3;5H2,1-4H3,(H2,8,9);2*3-5H,1-2H3,(H2,7,8,9);2*3-5H,1-2H3,(H,7,8);4,6H,1-3H3/q+1;;;;;;;+1;;;;;;;;;;;;;;;;;/b;;11-9+;;;10-9+;;;;;;;;;;;;;;;;;;;6-5+
InChIKeyVBJADUPXYHDCOS-QOJMAYDFSA-N
MW3668.71 g/mol
LogP35.21
Rot. Bonds39

About 4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine

4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 159317994) has the molecular formula C197H381N61O2S+2 and a molecular weight of 3668.71 g/mol. Its IUPAC name is 4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID159317994
Molecular FormulaC197H381N61O2S+2
Molecular Weight3668.71 g/mol
Exact Mass3666.13
IUPAC Name4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine
SMILESC=C1N=CC(C(C)C)=N1.C=C1N=CC=C(C(C)C)N1.C=C1NCC(C(C)C)N1.C=Cc1cn(C(C)C)nn1.CC(C)/N=C(\N)N1CCN(C)CC1.CC(C)C1CCN=C(N)N1.CC(C)C1CN(C)CCO1.CC(C)N1CCCCC1.CC(C)N1CC[N+](C)(C)CC1.CC(C)Nc1nc2ccccc2[nH]1.CC(C)Nc1ncc[nH]1.CC(C)Nc1ncc[nH]1.CC(C)Nc1ncccn1.CC(C)Nc1ncco1.CC(C)Nc1nccs1.CC/C(N)=N\C(C)(C)C.CCC/N=C(\N)NC(C)(C)C.CCCNC1=NCCN1C(C)(C)C.CCC[N+]1(C)CCN(C(C)(C)C)CC1.CCCc1cn(C(C)(C)C)nn1.CCCc1cn(C(C)C)nn1.Cc1nccc(C(C)C)n1.[H]/N=C(\C)C(C)C.[H]/N=C(\C)N1CCN(C(C)C)CC1.[H]/N=C1\N(CCC)CCN1C(C)(C)C
InChIInChI=1S/C12H27N2.C10H13N3.2C10H21N3.C9H20N4.C9H19N3.C9H17N3.C9H21N2.C8H15N3.C8H19N3.2C8H12N2.C8H17NO.C8H17N.C7H11N3.C7H15N3.C7H11N3.C7H14N2.C7H10N2.C7H16N2.2C6H11N3.C6H10N2O.C6H10N2S.C5H11N/c1-6-9-14(5)10-7-13(8-11-14)12(2,3)4;1-7(2)11-10-12-8-5-3-4-6-9(8)13-10;1-5-6-12-7-8-13(9(12)11)10(2,3)4;1-5-6-11-9-12-7-8-13(9)10(2,3)4;1-8(2)11-9(10)13-6-4-12(3)5-7-13;1-8(2)11-4-6-12(7-5-11)9(3)10;1-5-6-8-7-12(11-10-8)9(2,3)4;1-9(2)10-5-7-11(3,4)8-6-10;1-4-5-8-6-11(7(2)3)10-9-8;1-5-6-10-7(9)11-8(2,3)4;2*1-6(2)8-4-5-9-7(3)10-8;1-7(2)8-6-9(3)4-5-10-8;1-8(2)9-6-4-3-5-7-9;1-6(2)10-7-8-4-3-5-9-7;1-5(2)6-3-4-9-7(8)10-6;1-4-7-5-10(6(2)3)9-8-7;2*1-5(2)7-4-8-6(3)9-7;1-5-6(8)9-7(2,3)4;2*1-5(2)9-6-7-3-4-8-6;2*1-5(2)8-6-7-3-4-9-6;1-4(2)5(3)6/h6-11H2,1-5H3;3-7H,1-2H3,(H2,11,12,13);11H,5-8H2,1-4H3;5-8H2,1-4H3,(H,11,12);8H,4-7H2,1-3H3,(H2,10,11);8,10H,4-7H2,1-3H3;7H,5-6H2,1-4H3;9H,5-8H2,1-4H3;6-7H,4-5H2,1-3H3;5-6H2,1-4H3,(H3,9,10,11);4-6H,1-3H3;4-6,10H,3H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;3-6H,1-2H3,(H,8,9,10);5-6H,3-4H2,1-2H3,(H3,8,9,10);4-6H,1H2,2-3H3;5,7-9H,3-4H2,1-2H3;4-5H,3H2,1-2H3;5H2,1-4H3,(H2,8,9);2*3-5H,1-2H3,(H2,7,8,9);2*3-5H,1-2H3,(H,7,8);4,6H,1-3H3/q+1;;;;;;;+1;;;;;;;;;;;;;;;;;/b;;11-9+;;;10-9+;;;;;;;;;;;;;;;;;;;6-5+
InChIKeyVBJADUPXYHDCOS-QOJMAYDFSA-N
XLogP35.21
TPSA732.39 Ų
H-Bond Donors22
H-Bond Acceptors51
Rotatable Bonds39
Heavy Atoms261
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003668.71
LogP ≤ 535.21
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 159116422
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;1-(2-fluoroethyl)-1-methyl-4-propan-2-ylpiperazin-1-ium;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazolidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N'-propan-2-ylethanimidamide;bis(N-propan-2-yl-1H-imidazol-2-amine);1-propan-2-ylpiperazine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;N-propan-2-yl-1,3-thiazol-2-amine;propan-2-ylurea
CID 157228969
2,3-di(propan-2-yl)-1H-imidazo[1,5-a]imidazole;5,6-di(propan-2-yl)-7H-imidazo[1,2-a]imidazole;2,3-di(propan-2-yl)imidazo[1,2-a]pyrazine;2,3-di(propan-2-yl)imidazo[1,2-a]pyridine;2,3-di(propan-2-yl)imidazo[1,2-a]pyrimidine;6,7-di(propan-2-yl)imidazo[1,2-a][1,3,5]triazine;5,6-di(propan-2-yl)imidazo[2,1-b][1,3]oxazole;2,3-di(propan-2-yl)imidazo[1,2-b]pyridazine;5,6-di(propan-2-yl)imidazo[2,1-b][1,3]thiazole;6,7-di(propan-2-yl)imidazo[1,2-b][1,2,4]triazine;2,3-di(propan-2-yl)imidazo[1,2-c]pyrimidine;6,7-di(propan-2-yl)imidazo[2,1-c][1,2,4]triazine;5,6-di(propan-2-yl)-1H-imidazo[2,1-c][1,2,4]triazole;5,6-di(propan-2-yl)imidazo[1,2-d][1,2,4]oxadiazole;2,3-di(propan-2-yl)imidazo[1,2-d][1,2,4]triazine;6,7-di(propan-2-yl)imidazo[2,1-f][1,2,4]triazine;2,3-di(propan-2-yl)-1H-pyrrolo[1,2-a]imidazole
CID 157313547
tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;2H-pyrrole;3H-pyrrolo[3,2-b]pyridine;bis(7H-pyrrolo[3,4-d]pyrimidine);1,3-thiazole
CID 157417324
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-3H-imidazo[4,5-b]pyrazine;2,5-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-1H-imidazo[4,5-b]pyridine;2,6-dimethyl-3H-imidazo[4,5-c]pyridine;bis(2,5-dimethyl-1H-imidazole);2,5-dimethyl-1,3-oxazole;2,8-dimethyl-7H-purine;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole;methane
CID 157422107
1H-benzimidazole;cumene;imidazo[1,2-a]pyridine;bis(1H-imidazole);henicosakis(2-methylpropane);1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole
CID 157457971
benzene;2-tert-butyl-3,4-dihydro-2H-pyran;2-tert-butyl-1,3,4-oxadiazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;bis(1-tert-butylpyrrole);bis(2-tert-butyl-1H-pyrrole);2-tert-butyl-1,3-thiazole;pentakis(2,2-dimethylpropane);methane;2-methylpropane;pyrazine;pyridazine;pyridine;pyrimidine;2H-triazole
CID 157671188
tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;octakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;2H-pyrrole;bis(7H-pyrrolo[3,4-d]pyrimidine);1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine
CID 157726544
3-propan-2-ylazetidine;2-propan-2-yl-1H-imidazole;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;2-propan-2-yl-1,3-oxazole;3-propan-2-yloxolane;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;6-propan-2-yl-1,4,5,6-tetrahydrotriazine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157840248
acetonitrile;N-benzyl-2-methylpropan-2-amine;N-tert-butylaniline;N-tert-butyl-1-methylimidazol-2-amine;N-tert-butyl-1-methylimidazol-4-amine;N-tert-butyl-1,3-oxazol-2-amine;N-tert-butyl-1,3-oxazol-4-amine;N-tert-butylpyrazin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-3-amine;N-tert-butylpyridin-4-amine;N-tert-butylpyrimidin-2-amine;N-tert-butyl-1,3-thiazol-2-amine;N-tert-butyl-1,3-thiazol-4-amine;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-2-amine;2-methyl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 157933732
N-benzyl-2-methylpropan-2-amine;tris(N-tert-butylaniline);N-tert-butyl-1-methylimidazol-2-amine;N-tert-butyl-1-methylimidazol-4-amine;N-tert-butyl-1,3-oxazol-2-amine;N-tert-butyl-1,3-oxazol-4-amine;N-tert-butylpyrazin-2-amine;N-tert-butylpyridin-2-amine;N-tert-butylpyridin-4-amine;N-tert-butylpyrimidin-2-amine;N-tert-butyl-1,3-thiazol-2-amine;N-tert-butyl-1,3-thiazol-4-amine;ethane;methane;2-methyl-N-(pyridin-2-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine;2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-2-amine;2-methyl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 158142560

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine (CID 159317994) is 4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine is C=C1N=CC(C(C)C)=N1.C=C1N=CC=C(C(C)C)N1.C=C1NCC(C(C)C)N1.C=Cc1cn(C(C)C)nn1.CC(C)/N=C(\N)N1CCN(C)CC1.CC(C)C1CCN=C(N)N1.CC(C)C1CN(C)CCO1.CC(C)N1CCCCC1.CC(C)N1CC[N+](C)(C)CC1.CC(C)Nc1nc2ccccc2[nH]1.CC(C)Nc1ncc[nH]1.CC(C)Nc1ncc[nH]1.CC(C)Nc1ncccn1.CC(C)Nc1ncco1.CC(C)Nc1nccs1.CC/C(N)=N\C(C)(C)C.CCC/N=C(\N)NC(C)(C)C.CCCNC1=NCCN1C(C)(C)C.CCC[N+]1(C)CCN(C(C)(C)C)CC1.CCCc1cn(C(C)(C)C)nn1.CCCc1cn(C(C)C)nn1.Cc1nccc(C(C)C)n1.[H]/N=C(\C)C(C)C.[H]/N=C(\C)N1CCN(C(C)C)CC1.[H]/N=C1\N(CCC)CCN1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is VBJADUPXYHDCOS-QOJMAYDFSA-N. The full InChI is InChI=1S/C12H27N2.C10H13N3.2C10H21N3.C9H20N4.C9H19N3.C9H17N3.C9H21N2.C8H15N3.C8H19N3.2C8H12N2.C8H17NO.C8H17N.C7H11N3.C7H15N3.C7H11N3.C7H14N2.C7H10N2.C7H16N2.2C6H11N3.C6H10N2O.C6H10N2S.C5H11N/c1-6-9-14(5)10-7-13(8-11-14)12(2,3)4;1-7(2)11-10-12-8-5-3-4-6-9(8)13-10;1-5-6-12-7-8-13(9(12)11)10(2,3)4;1-5-6-11-9-12-7-8-13(9)10(2,3)4;1-8(2)11-9(10)13-6-4-12(3)5-7-13;1-8(2)11-4-6-12(7-5-11)9(3)10;1-5-6-8-7-12(11-10-8)9(2,3)4;1-9(2)10-5-7-11(3,4)8-6-10;1-4-5-8-6-11(7(2)3)10-9-8;1-5-6-10-7(9)11-8(2,3)4;2*1-6(2)8-4-5-9-7(3)10-8;1-7(2)8-6-9(3)4-5-10-8;1-8(2)9-6-4-3-5-7-9;1-6(2)10-7-8-4-3-5-9-7;1-5(2)6-3-4-9-7(8)10-6;1-4-7-5-10(6(2)3)9-8-7;2*1-5(2)7-4-8-6(3)9-7;1-5-6(8)9-7(2,3)4;2*1-5(2)9-6-7-3-4-8-6;2*1-5(2)8-6-7-3-4-9-6;1-4(2)5(3)6/h6-11H2,1-5H3;3-7H,1-2H3,(H2,11,12,13);11H,5-8H2,1-4H3;5-8H2,1-4H3,(H,11,12);8H,4-7H2,1-3H3,(H2,10,11);8,10H,4-7H2,1-3H3;7H,5-6H2,1-4H3;9H,5-8H2,1-4H3;6-7H,4-5H2,1-3H3;5-6H2,1-4H3,(H3,9,10,11);4-6H,1-3H3;4-6,10H,3H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;3-6H,1-2H3,(H,8,9,10);5-6H,3-4H2,1-2H3,(H3,8,9,10);4-6H,1H2,2-3H3;5,7-9H,3-4H2,1-2H3;4-5H,3H2,1-2H3;5H2,1-4H3,(H2,8,9);2*3-5H,1-2H3,(H2,7,8,9);2*3-5H,1-2H3,(H,7,8);4,6H,1-3H3/q+1;;;;;;;+1;;;;;;;;;;;;;;;;;/b;;11-9+;;;10-9+;;;;;;;;;;;;;;;;;;;6-5+.
What are the key properties of 4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine?
4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 3668.71 g/mol, XLogP of 35.21, 39 rotatable bonds, 22 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methyl-1-propylpiperazin-1-ium;N'-tert-butylpropanimidamide;1-tert-butyl-N-propyl-4,5-dihydroimidazol-2-amine;1-tert-butyl-2-propylguanidine;1-tert-butyl-3-propylimidazolidin-2-imine;1-tert-butyl-4-propyltriazole;1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;4-ethenyl-1-propan-2-yltriazole;3-methylbutan-2-imine;2-methylidene-4-propan-2-ylimidazole;2-methylidene-4-propan-2-ylimidazolidine;2-methylidene-6-propan-2-yl-1H-pyrimidine;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;2-methyl-4-propan-2-ylpyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N-propan-2-yl-1H-imidazol-2-amine);N-propan-2-yl-1,3-oxazol-2-amine;1-(4-propan-2-ylpiperazin-1-yl)ethanimine;1-propan-2-ylpiperidine;1-propan-2-yl-4-propyltriazole;N-propan-2-ylpyrimidin-2-amine;6-propan-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine;N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 159317994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).