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

C109H219FN34O2S+2 — CID 157228969

IUPAC1,1-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
SMILESC/C(N)=N\C(C)C.C=C1NCC(C(C)C)N1.CC(C)/N=C(\N)N1CCN(C)CC1.CC(C)C1CN(C)CCO1.CC(C)Cc1ncccn1.CC(C)N1CCNCC1.CC(C)N1CC[N+](C)(C)CC1.CC(C)N1CC[N+](C)(CCF)CC1.CC(C)NC(N)=O.CC(C)Nc1nc2ccccc2[nH]1.CC(C)Nc1ncc[nH]1.CC(C)Nc1ncc[nH]1.CC(C)Nc1nccs1.[H]/N=C(\C)C(C)C.[H]/N=C(\C)N1CCN(C(C)C)CC1
InChIInChI=1S/C10H22FN2.C10H13N3.C9H20N4.C9H19N3.C9H21N2.C8H12N2.C8H17NO.C7H16N2.C7H14N2.2C6H11N3.C6H10N2S.C5H12N2.C5H11N.C4H10N2O/c1-10(2)12-5-8-13(3,7-4-11)9-6-12;1-7(2)11-10-12-8-5-3-4-6-9(8)13-10;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;1-9(2)10-5-7-11(3,4)8-6-10;1-7(2)6-8-9-4-3-5-10-8;1-7(2)8-6-9(3)4-5-10-8;1-7(2)9-5-3-8-4-6-9;1-5(2)7-4-8-6(3)9-7;2*1-5(2)9-6-7-3-4-8-6;1-5(2)8-6-7-3-4-9-6;1-4(2)7-5(3)6;1-4(2)5(3)6;1-3(2)6-4(5)7/h10H,4-9H2,1-3H3;3-7H,1-2H3,(H2,11,12,13);8H,4-7H2,1-3H3,(H2,10,11);8,10H,4-7H2,1-3H3;9H,5-8H2,1-4H3;3-5,7H,6H2,1-2H3;7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;5,7-9H,3-4H2,1-2H3;2*3-5H,1-2H3,(H2,7,8,9);3-5H,1-2H3,(H,7,8);4H,1-3H3,(H2,6,7);4,6H,1-3H3;3H,1-2H3,(H3,5,6,7)/q+1;;;;+1;;;;;;;;;;/b;;;10-9+;;;;;;;;;;6-5+;
InChIKeyATWPJZIKYAPWLY-YMIBSVQCSA-N
MW2089.25 g/mol
LogP15.83
Rot. Bonds22

About 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

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 (PubChem CID 157228969) has the molecular formula C109H219FN34O2S+2 and a molecular weight of 2089.25 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1-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
PubChem CID157228969
Molecular FormulaC109H219FN34O2S+2
Molecular Weight2089.25 g/mol
Exact Mass2087.78
IUPAC Name1,1-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
SMILESC/C(N)=N\C(C)C.C=C1NCC(C(C)C)N1.CC(C)/N=C(\N)N1CCN(C)CC1.CC(C)C1CN(C)CCO1.CC(C)Cc1ncccn1.CC(C)N1CCNCC1.CC(C)N1CC[N+](C)(C)CC1.CC(C)N1CC[N+](C)(CCF)CC1.CC(C)NC(N)=O.CC(C)Nc1nc2ccccc2[nH]1.CC(C)Nc1ncc[nH]1.CC(C)Nc1ncc[nH]1.CC(C)Nc1nccs1.[H]/N=C(\C)C(C)C.[H]/N=C(\C)N1CCN(C(C)C)CC1
InChIInChI=1S/C10H22FN2.C10H13N3.C9H20N4.C9H19N3.C9H21N2.C8H12N2.C8H17NO.C7H16N2.C7H14N2.2C6H11N3.C6H10N2S.C5H12N2.C5H11N.C4H10N2O/c1-10(2)12-5-8-13(3,7-4-11)9-6-12;1-7(2)11-10-12-8-5-3-4-6-9(8)13-10;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;1-9(2)10-5-7-11(3,4)8-6-10;1-7(2)6-8-9-4-3-5-10-8;1-7(2)8-6-9(3)4-5-10-8;1-7(2)9-5-3-8-4-6-9;1-5(2)7-4-8-6(3)9-7;2*1-5(2)9-6-7-3-4-8-6;1-5(2)8-6-7-3-4-9-6;1-4(2)7-5(3)6;1-4(2)5(3)6;1-3(2)6-4(5)7/h10H,4-9H2,1-3H3;3-7H,1-2H3,(H2,11,12,13);8H,4-7H2,1-3H3,(H2,10,11);8,10H,4-7H2,1-3H3;9H,5-8H2,1-4H3;3-5,7H,6H2,1-2H3;7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;5,7-9H,3-4H2,1-2H3;2*3-5H,1-2H3,(H2,7,8,9);3-5H,1-2H3,(H,7,8);4H,1-3H3,(H2,6,7);4,6H,1-3H3;3H,1-2H3,(H3,5,6,7)/q+1;;;;+1;;;;;;;;;;/b;;;10-9+;;;;;;;;;;6-5+;
InChIKeyATWPJZIKYAPWLY-YMIBSVQCSA-N
XLogP15.83
TPSA423.65 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002089.25
LogP ≤ 515.83
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

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 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 with MolForge

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Related Compounds

5-benzyl-2-methyl-N-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-benzyl-2-methyl-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-morpholin-4-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(2-pyrrol-1-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-butyl-2-methyl-5-(thiophen-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 158241341
2-chloro-8-(2,2-difluoroethoxy)-N-(pyrimidin-4-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(2-fluorophenyl)methyl]-7H-purin-6-amine;2-chloro-8-methoxy-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-(pyrazin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 158520545
1,3-Dimethylpyrrolidine;ethane;2-ethylimidazo[1,2-a]pyridine;2-ethyl-1-methylimidazole;1-ethyl-3-methylpiperidine;bis(1-ethyl-3-methylpyrrolidine);2-ethyloxolane;2-ethylpyrazine;3-ethylpyridine;4-ethyl-1,3-thiazole;methylcyclopentane;3-methyl-1-propan-2-ylpyrrolidine;3-methylpyrrolidine;4-propan-2-ylmorpholine;1-propan-2-ylpyrrolidine
CID 158759597
1,1-dimethyl-4-propan-2-ylpiperazin-1-ium;2-methylidene-4-propan-2-ylimidazolidine;2-methylpropanimidamide;4-methyl-2-propan-2-ylmorpholine;4-methyl-N'-propan-2-ylpiperazine-1-carboximidamide;1-methyl-4-propan-2-yl-1-propylpiperazin-1-ium;2-(2-methylpropyl)pyrimidine;N-propan-2-ylacetamide;N-propan-2-yl-1H-benzimidazol-2-amine;N'-propan-2-ylethanimidamide;bis(N-propan-2-yl-1H-imidazol-2-amine);4-propan-2-ylpiperazine-1-carboximidamide;1-propan-2-ylpiperidine;N-propan-2-yl-1,3-thiazol-2-amine
CID 158816838
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
2-[[6-(1H-benzimidazol-2-ylmethyl)piperidin-2-yl]methyl]-N-[(3-fluoro-2-pyridinyl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine;tert-butyl 2-(1H-benzimidazol-2-ylmethyl)-6-[[7-[(3-fluoro-2-pyridinyl)methylamino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperidine-1-carboxylate
CID 159764945
2-chloro-8-methoxy-N-[1-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine;2-chloro-N-methyl-N-(pyridin-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1,3-thiazol-4-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1,3-thiazol-5-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-fluoro-N-(pyridin-4-ylmethyl)-7H-purin-6-amine
CID 160050433
1,1-dimethyl-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;1-methyl-4-propan-2-yl-1-propylpiperazin-1-ium;2-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;bis(N'-propan-2-ylethanimidamide);bis(N-propan-2-yl-1H-imidazol-2-amine);4-propan-2-ylpiperazine-1-carboximidamide;1-propan-2-ylpiperidine;N-propan-2-yl-1,3-thiazol-2-amine
CID 160142056
1-[4-[6-(1H-benzimidazol-2-ylmethylamino)-9-thiophen-3-ylpurin-2-yl]piperazin-1-yl]-2-cyclopropylethanone;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-phenylpurin-6-amine;6-N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-N-pyrimidin-4-ylpurine-2,6-diamine;N-(1H-benzimidazol-2-ylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-9-thiophen-3-ylpurin-6-amine
CID 161310951
1-methyl-4-propan-2-ylpiperazine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine
CID 161354811
N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-propan-2-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyrazin-2-ylmethyl)purin-6-amine;N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-(pyridin-3-ylmethyl)purin-6-amine
CID 161454580
4-N-(2-ethoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(3-methoxypropyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(oxolan-2-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(2-propan-2-yloxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(pyridin-2-ylmethyl)-4-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 163856269

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C(N)=N\C(C)C.C=C1NCC(C(C)C)N1.CC(C)/N=C(\N)N1CCN(C)CC1.CC(C)C1CN(C)CCO1.CC(C)Cc1ncccn1.CC(C)N1CCNCC1.CC(C)N1CC[N+](C)(C)CC1.CC(C)N1CC[N+](C)(CCF)CC1.CC(C)NC(N)=O.CC(C)Nc1nc2ccccc2[nH]1.CC(C)Nc1ncc[nH]1.CC(C)Nc1ncc[nH]1.CC(C)Nc1nccs1.[H]/N=C(\C)C(C)C.[H]/N=C(\C)N1CCN(C(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is ATWPJZIKYAPWLY-YMIBSVQCSA-N. The full InChI is InChI=1S/C10H22FN2.C10H13N3.C9H20N4.C9H19N3.C9H21N2.C8H12N2.C8H17NO.C7H16N2.C7H14N2.2C6H11N3.C6H10N2S.C5H12N2.C5H11N.C4H10N2O/c1-10(2)12-5-8-13(3,7-4-11)9-6-12;1-7(2)11-10-12-8-5-3-4-6-9(8)13-10;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;1-9(2)10-5-7-11(3,4)8-6-10;1-7(2)6-8-9-4-3-5-10-8;1-7(2)8-6-9(3)4-5-10-8;1-7(2)9-5-3-8-4-6-9;1-5(2)7-4-8-6(3)9-7;2*1-5(2)9-6-7-3-4-8-6;1-5(2)8-6-7-3-4-9-6;1-4(2)7-5(3)6;1-4(2)5(3)6;1-3(2)6-4(5)7/h10H,4-9H2,1-3H3;3-7H,1-2H3,(H2,11,12,13);8H,4-7H2,1-3H3,(H2,10,11);8,10H,4-7H2,1-3H3;9H,5-8H2,1-4H3;3-5,7H,6H2,1-2H3;7-8H,4-6H2,1-3H3;7-8H,3-6H2,1-2H3;5,7-9H,3-4H2,1-2H3;2*3-5H,1-2H3,(H2,7,8,9);3-5H,1-2H3,(H,7,8);4H,1-3H3,(H2,6,7);4,6H,1-3H3;3H,1-2H3,(H3,5,6,7)/q+1;;;;+1;;;;;;;;;;/b;;;10-9+;;;;;;;;;;6-5+;.
What are the key properties of 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?
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 has a molecular weight of 2089.25 g/mol, XLogP of 15.83, 22 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157228969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).