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

C110H222N34O2S+2 — CID 158816838

IUPAC1,1-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
SMILESC/C(N)=N\C(C)C.C=C1NCC(C(C)C)N1.CC(=O)NC(C)C.CC(C)/N=C(\N)N1CCN(C)CC1.CC(C)C1CN(C)CCO1.CC(C)Cc1ncccn1.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)Nc1nccs1.CCC[N+]1(C)CCN(C(C)C)CC1.[H]/N=C(\N)C(C)C.[H]/N=C(\N)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H25N2.C10H13N3.C9H20N4.C9H21N2.C8H18N4.C8H12N2.C8H17NO.C8H17N.C7H14N2.2C6H11N3.C6H10N2S.C5H12N2.C5H11NO.C4H10N2/c1-5-8-13(4)9-6-12(7-10-13)11(2)3;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;1-9(2)10-5-7-11(3,4)8-6-10;1-7(2)11-3-5-12(6-4-11)8(9)10;1-7(2)6-8-9-4-3-5-10-8;1-7(2)8-6-9(3)4-5-10-8;1-8(2)9-6-4-3-5-7-9;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)6-5(3)7;1-3(2)4(5)6/h11H,5-10H2,1-4H3;3-7H,1-2H3,(H2,11,12,13);8H,4-7H2,1-3H3,(H2,10,11);9H,5-8H2,1-4H3;7H,3-6H2,1-2H3,(H3,9,10);3-5,7H,6H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;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);4H,1-3H3,(H,6,7);3H,1-2H3,(H3,5,6)/q+1;;;+1;;;;;;;;;;;
InChIKeyIVJKAXBEZBNTMK-UHFFFAOYSA-N
MW2085.29 g/mol
LogP16.11
Rot. Bonds22

About 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

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 (PubChem CID 158816838) has the molecular formula C110H222N34O2S+2 and a molecular weight of 2085.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1-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
PubChem CID158816838
Molecular FormulaC110H222N34O2S+2
Molecular Weight2085.29 g/mol
Exact Mass2083.80
IUPAC Name1,1-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
SMILESC/C(N)=N\C(C)C.C=C1NCC(C(C)C)N1.CC(=O)NC(C)C.CC(C)/N=C(\N)N1CCN(C)CC1.CC(C)C1CN(C)CCO1.CC(C)Cc1ncccn1.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)Nc1nccs1.CCC[N+]1(C)CCN(C(C)C)CC1.[H]/N=C(\N)C(C)C.[H]/N=C(\N)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H25N2.C10H13N3.C9H20N4.C9H21N2.C8H18N4.C8H12N2.C8H17NO.C8H17N.C7H14N2.2C6H11N3.C6H10N2S.C5H12N2.C5H11NO.C4H10N2/c1-5-8-13(4)9-6-12(7-10-13)11(2)3;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;1-9(2)10-5-7-11(3,4)8-6-10;1-7(2)11-3-5-12(6-4-11)8(9)10;1-7(2)6-8-9-4-3-5-10-8;1-7(2)8-6-9(3)4-5-10-8;1-8(2)9-6-4-3-5-7-9;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)6-5(3)7;1-3(2)4(5)6/h11H,5-10H2,1-4H3;3-7H,1-2H3,(H2,11,12,13);8H,4-7H2,1-3H3,(H2,10,11);9H,5-8H2,1-4H3;7H,3-6H2,1-2H3,(H3,9,10);3-5,7H,6H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;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);4H,1-3H3,(H,6,7);3H,1-2H3,(H3,5,6)/q+1;;;+1;;;;;;;;;;;
InChIKeyIVJKAXBEZBNTMK-UHFFFAOYSA-N
XLogP16.11
TPSA437.64 Ų
H-Bond Donors16
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002085.29
LogP ≤ 516.11
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1025

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;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 with MolForge

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Launch Full Analysis

Related Compounds

6-[6-[4-[2-[(2S)-2-[[6-[6-(2,6-dimethylmorpholin-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-oxo-4H-thieno[3,2-b]pyridin-7-yl]amino]-2-pyrimidin-2-ylethoxy]ethyl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one
CID 154966515
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
1-[(3R)-3-[[5-(1-methylimidazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]but-3-yn-1-one;1-[(3R)-3-[[5-(4-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]but-3-yn-1-one;1-[(3R)-3-[[5-(1,3-thiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]but-3-yn-1-one
CID 157256101
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;1-propan-2-ylpyrrolidin-2-one;2-propan-2-yl-1,3-thiazole;4-propan-2-ylthiomorpholine;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 157990127
1-tert-butyl-4-(2-imidazol-1-ylethyl)piperazine;1-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine;4-tert-butylmorpholine;4-tert-butylpiperazin-2-one;2-(4-tert-butylpiperazin-1-yl)-N,N-dimethylethanamine;4-[2-(4-tert-butylpiperazin-1-yl)ethyl]morpholine;2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole;1-tert-butyl-4-(pyridin-3-ylmethyl)piperazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-tert-butyl-4-(2-pyrrolidin-1-ylethyl)piperazine;N,N,2-trimethylpropan-2-amine
CID 158223301
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-(2-methylpropyl)pyrimidine;N-propan-2-yl-1H-benzimidazol-2-amine;N-propan-2-yl-1H-imidazol-2-amine;N-propan-2-yl-1,3-oxazol-2-amine;N-propan-2-yl-1,3-thiazol-2-amine
CID 158455411
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C(N)=N\C(C)C.C=C1NCC(C(C)C)N1.CC(=O)NC(C)C.CC(C)/N=C(\N)N1CCN(C)CC1.CC(C)C1CN(C)CCO1.CC(C)Cc1ncccn1.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)Nc1nccs1.CCC[N+]1(C)CCN(C(C)C)CC1.[H]/N=C(\N)C(C)C.[H]/N=C(\N)N1CCN(C(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is IVJKAXBEZBNTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2.C10H13N3.C9H20N4.C9H21N2.C8H18N4.C8H12N2.C8H17NO.C8H17N.C7H14N2.2C6H11N3.C6H10N2S.C5H12N2.C5H11NO.C4H10N2/c1-5-8-13(4)9-6-12(7-10-13)11(2)3;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;1-9(2)10-5-7-11(3,4)8-6-10;1-7(2)11-3-5-12(6-4-11)8(9)10;1-7(2)6-8-9-4-3-5-10-8;1-7(2)8-6-9(3)4-5-10-8;1-8(2)9-6-4-3-5-7-9;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)6-5(3)7;1-3(2)4(5)6/h11H,5-10H2,1-4H3;3-7H,1-2H3,(H2,11,12,13);8H,4-7H2,1-3H3,(H2,10,11);9H,5-8H2,1-4H3;7H,3-6H2,1-2H3,(H3,9,10);3-5,7H,6H2,1-2H3;7-8H,4-6H2,1-3H3;8H,3-7H2,1-2H3;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);4H,1-3H3,(H,6,7);3H,1-2H3,(H3,5,6)/q+1;;;+1;;;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2085.29 g/mol, XLogP of 16.11, 22 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158816838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).