1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide

C176H317F2N45O14S6+2 — CID 158045815

IUPAC1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide
SMILESC/N=C(\C)N.C/N=C(\C)N(C)C.CC(N)=NO.CC1=NCCN1C.CC1CCN(C)CC1.CCN(C)C.CCN1CCCC1.CC[N+](C)(C)C.CN1CCCN(C)CC1.CN1CCN(C)CC1.Cc1cc[n+](O)cc1.Cc1ccc(F)cc1S(C)(=O)=O.Cc1ccc(F)cc1S(N)(=O)=O.Cc1ccccc1CN(C)C.Cc1ccccc1N.Cc1ccccc1S(C)(=O)=O.Cc1ccncc1.Cc1ccncc1S(C)(=O)=O.Cc1ccncc1S(N)(=O)=O.O=S=O.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\C)N.[H]/N=C(\C)N(C)C.[H]/N=C(\C)N1CC1.[H]/N=C(\C)N1CCC(C)CC1.[H]/N=C(\C)N1CCC1.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCCCC1.[H]/N=C(\N)N1CCC(C)CC1.[H]/N=C(\N)c1ccccc1C
InChIInChI=1S/C10H14N2.C10H15N.C8H9FO2S.C8H16N2.C8H10N2.C8H10O2S.C7H8FNO2S.C7H15N3.C7H16N2.C7H14N2.C7H9NO2S.C7H15N.C7H9N.C6H8N2O2S.C6H14N2.C6H12N2.C6H8NO.C6H7N.C6H13N.2C5H10N2.C5H12N2.C5H14N.C4H8N2.C4H10N2.C4H11N.C3H8N2.C2H6N2O.C2H6N2.O2S/c1-8-6-4-5-7-9(8)10(11)12(2)3;1-9-6-4-5-7-10(9)8-11(2)3;1-6-3-4-7(9)5-8(6)12(2,10)11;1-7-3-5-10(6-4-7)8(2)9;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-6(8)4-7(5)12(9,10)11;1-6-2-4-10(5-3-6)7(8)9;1-8-4-3-5-9(2)7-6-8;1-7(8)9-5-3-2-4-6-9;1-6-3-4-8-5-7(6)11(2,9)10;1-7-3-5-8(2)6-4-7;1-6-4-2-3-5-7(6)8;1-5-2-3-8-4-6(5)11(7,9)10;1-7-3-5-8(2)6-4-7;1-6(7)8-4-2-3-5-8;1-6-2-4-7(8)5-3-6;1-6-2-4-7-5-3-6;1-2-7-5-3-4-6-7;1-5-6-3-4-7(5)2;1-5(6)7-3-2-4-7;1-5(6-2)7(3)4;1-5-6(2,3)4;1-4(5)6-2-3-6;1-4(5)6(2)3;1-4-5(2)3;1-3(4)5-2;1-2(3)4-5;1-2(3)4;1-3-2/h4-7,11H,1-3H3;4-7H,8H2,1-3H3;3-5H,1-2H3;7,9H,3-6H2,1-2H3;2-5H,1H3,(H3,9,10);3-6H,1-2H3;2-4H,1H3,(H2,9,10,11);6H,2-5H2,1H3,(H3,8,9);3-7H2,1-2H3;8H,2-6H2,1H3;3-5H,1-2H3;7H,3-6H2,1-2H3;2-5H,8H2,1H3;2-4H,1H3,(H2,7,9,10);3-6H2,1-2H3;7H,2-5H2,1H3;2-5,8H,1H3;2-5H,1H3;2-6H2,1H3;3-4H2,1-2H3;6H,2-4H2,1H3;1-4H3;5H2,1-4H3;5H,2-3H2,1H3;5H,1-3H3;4H2,1-3H3;1-2H3,(H2,4,5);5H,1H3,(H2,3,4);1H3,(H3,3,4);/q;;;;;;;;;;;;;;;;+1;;;;;;+1;;;;;;;/b11-10-;;;9-8+;;;;;;8-7+;;;;;;7-6+;;;;;2*6-5+;;2*5-4+;;;;;
InChIKeyDDJYNXJCQFUWND-FAYAQWPISA-N
MW3518.17 g/mol
LogP23.48
Rot. Bonds12

About 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide

1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide (PubChem CID 158045815) has the molecular formula C176H317F2N45O14S6+2 and a molecular weight of 3518.17 g/mol. Its IUPAC name is 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide.

Molecular Properties

Compound Name1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide
PubChem CID158045815
Molecular FormulaC176H317F2N45O14S6+2
Molecular Weight3518.17 g/mol
Exact Mass3515.38
IUPAC Name1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide
SMILESC/N=C(\C)N.C/N=C(\C)N(C)C.CC(N)=NO.CC1=NCCN1C.CC1CCN(C)CC1.CCN(C)C.CCN1CCCC1.CC[N+](C)(C)C.CN1CCCN(C)CC1.CN1CCN(C)CC1.Cc1cc[n+](O)cc1.Cc1ccc(F)cc1S(C)(=O)=O.Cc1ccc(F)cc1S(N)(=O)=O.Cc1ccccc1CN(C)C.Cc1ccccc1N.Cc1ccccc1S(C)(=O)=O.Cc1ccncc1.Cc1ccncc1S(C)(=O)=O.Cc1ccncc1S(N)(=O)=O.O=S=O.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\C)N.[H]/N=C(\C)N(C)C.[H]/N=C(\C)N1CC1.[H]/N=C(\C)N1CCC(C)CC1.[H]/N=C(\C)N1CCC1.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCCCC1.[H]/N=C(\N)N1CCC(C)CC1.[H]/N=C(\N)c1ccccc1C
InChIInChI=1S/C10H14N2.C10H15N.C8H9FO2S.C8H16N2.C8H10N2.C8H10O2S.C7H8FNO2S.C7H15N3.C7H16N2.C7H14N2.C7H9NO2S.C7H15N.C7H9N.C6H8N2O2S.C6H14N2.C6H12N2.C6H8NO.C6H7N.C6H13N.2C5H10N2.C5H12N2.C5H14N.C4H8N2.C4H10N2.C4H11N.C3H8N2.C2H6N2O.C2H6N2.O2S/c1-8-6-4-5-7-9(8)10(11)12(2)3;1-9-6-4-5-7-10(9)8-11(2)3;1-6-3-4-7(9)5-8(6)12(2,10)11;1-7-3-5-10(6-4-7)8(2)9;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-6(8)4-7(5)12(9,10)11;1-6-2-4-10(5-3-6)7(8)9;1-8-4-3-5-9(2)7-6-8;1-7(8)9-5-3-2-4-6-9;1-6-3-4-8-5-7(6)11(2,9)10;1-7-3-5-8(2)6-4-7;1-6-4-2-3-5-7(6)8;1-5-2-3-8-4-6(5)11(7,9)10;1-7-3-5-8(2)6-4-7;1-6(7)8-4-2-3-5-8;1-6-2-4-7(8)5-3-6;1-6-2-4-7-5-3-6;1-2-7-5-3-4-6-7;1-5-6-3-4-7(5)2;1-5(6)7-3-2-4-7;1-5(6-2)7(3)4;1-5-6(2,3)4;1-4(5)6-2-3-6;1-4(5)6(2)3;1-4-5(2)3;1-3(4)5-2;1-2(3)4-5;1-2(3)4;1-3-2/h4-7,11H,1-3H3;4-7H,8H2,1-3H3;3-5H,1-2H3;7,9H,3-6H2,1-2H3;2-5H,1H3,(H3,9,10);3-6H,1-2H3;2-4H,1H3,(H2,9,10,11);6H,2-5H2,1H3,(H3,8,9);3-7H2,1-2H3;8H,2-6H2,1H3;3-5H,1-2H3;7H,3-6H2,1-2H3;2-5H,8H2,1H3;2-4H,1H3,(H2,7,9,10);3-6H2,1-2H3;7H,2-5H2,1H3;2-5,8H,1H3;2-5H,1H3;2-6H2,1H3;3-4H2,1-2H3;6H,2-4H2,1H3;1-4H3;5H2,1-4H3;5H,2-3H2,1H3;5H,1-3H3;4H2,1-3H3;1-2H3,(H2,4,5);5H,1H3,(H2,3,4);1H3,(H3,3,4);/q;;;;;;;;;;;;;;;;+1;;;;;;+1;;;;;;;/b11-10-;;;9-8+;;;;;;8-7+;;;;;;7-6+;;;;;2*6-5+;;2*5-4+;;;;;
InChIKeyDDJYNXJCQFUWND-FAYAQWPISA-N
XLogP23.48
TPSA842.04 Ų
H-Bond Donors20
H-Bond Acceptors41
Rotatable Bonds12
Heavy Atoms243
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003518.17
LogP ≤ 523.48
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide?
The IUPAC name of 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide (CID 158045815) is 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide.
What is the SMILES notation for 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide?
The canonical SMILES for 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide is C/N=C(\C)N.C/N=C(\C)N(C)C.CC(N)=NO.CC1=NCCN1C.CC1CCN(C)CC1.CCN(C)C.CCN1CCCC1.CC[N+](C)(C)C.CN1CCCN(C)CC1.CN1CCN(C)CC1.Cc1cc[n+](O)cc1.Cc1ccc(F)cc1S(C)(=O)=O.Cc1ccc(F)cc1S(N)(=O)=O.Cc1ccccc1CN(C)C.Cc1ccccc1N.Cc1ccccc1S(C)(=O)=O.Cc1ccncc1.Cc1ccncc1S(C)(=O)=O.Cc1ccncc1S(N)(=O)=O.O=S=O.[H]/N=C(/c1ccccc1C)N(C)C.[H]/N=C(\C)N.[H]/N=C(\C)N(C)C.[H]/N=C(\C)N1CC1.[H]/N=C(\C)N1CCC(C)CC1.[H]/N=C(\C)N1CCC1.[H]/N=C(\C)N1CCCC1.[H]/N=C(\C)N1CCCCC1.[H]/N=C(\N)N1CCC(C)CC1.[H]/N=C(\N)c1ccccc1C.
What is the InChIKey of 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide?
The InChIKey is DDJYNXJCQFUWND-FAYAQWPISA-N. The full InChI is InChI=1S/C10H14N2.C10H15N.C8H9FO2S.C8H16N2.C8H10N2.C8H10O2S.C7H8FNO2S.C7H15N3.C7H16N2.C7H14N2.C7H9NO2S.C7H15N.C7H9N.C6H8N2O2S.C6H14N2.C6H12N2.C6H8NO.C6H7N.C6H13N.2C5H10N2.C5H12N2.C5H14N.C4H8N2.C4H10N2.C4H11N.C3H8N2.C2H6N2O.C2H6N2.O2S/c1-8-6-4-5-7-9(8)10(11)12(2)3;1-9-6-4-5-7-10(9)8-11(2)3;1-6-3-4-7(9)5-8(6)12(2,10)11;1-7-3-5-10(6-4-7)8(2)9;1-6-4-2-3-5-7(6)8(9)10;1-7-5-3-4-6-8(7)11(2,9)10;1-5-2-3-6(8)4-7(5)12(9,10)11;1-6-2-4-10(5-3-6)7(8)9;1-8-4-3-5-9(2)7-6-8;1-7(8)9-5-3-2-4-6-9;1-6-3-4-8-5-7(6)11(2,9)10;1-7-3-5-8(2)6-4-7;1-6-4-2-3-5-7(6)8;1-5-2-3-8-4-6(5)11(7,9)10;1-7-3-5-8(2)6-4-7;1-6(7)8-4-2-3-5-8;1-6-2-4-7(8)5-3-6;1-6-2-4-7-5-3-6;1-2-7-5-3-4-6-7;1-5-6-3-4-7(5)2;1-5(6)7-3-2-4-7;1-5(6-2)7(3)4;1-5-6(2,3)4;1-4(5)6-2-3-6;1-4(5)6(2)3;1-4-5(2)3;1-3(4)5-2;1-2(3)4-5;1-2(3)4;1-3-2/h4-7,11H,1-3H3;4-7H,8H2,1-3H3;3-5H,1-2H3;7,9H,3-6H2,1-2H3;2-5H,1H3,(H3,9,10);3-6H,1-2H3;2-4H,1H3,(H2,9,10,11);6H,2-5H2,1H3,(H3,8,9);3-7H2,1-2H3;8H,2-6H2,1H3;3-5H,1-2H3;7H,3-6H2,1-2H3;2-5H,8H2,1H3;2-4H,1H3,(H2,7,9,10);3-6H2,1-2H3;7H,2-5H2,1H3;2-5,8H,1H3;2-5H,1H3;2-6H2,1H3;3-4H2,1-2H3;6H,2-4H2,1H3;1-4H3;5H2,1-4H3;5H,2-3H2,1H3;5H,1-3H3;4H2,1-3H3;1-2H3,(H2,4,5);5H,1H3,(H2,3,4);1H3,(H3,3,4);/q;;;;;;;;;;;;;;;;+1;;;;;;+1;;;;;;;/b11-10-;;;9-8+;;;;;;8-7+;;;;;;7-6+;;;;;2*6-5+;;2*5-4+;;;;;.
What are the key properties of 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide?
1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide has a molecular weight of 3518.17 g/mol, XLogP of 23.48, 12 rotatable bonds, 20 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)ethanimine;1-(aziridin-1-yl)ethanimine;1,4-dimethyl-1,4-diazepane;1,2-dimethyl-4,5-dihydroimidazole;N,N-dimethylethanamine;N,N-dimethylethanimidamide;N,N-dimethyl-1-(2-methylphenyl)methanamine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;ethanimidamide;1-ethylpyrrolidine;ethyl(trimethyl)azanium;5-fluoro-2-methylbenzenesulfonamide;4-fluoro-1-methyl-2-methylsulfonylbenzene;N'-hydroxyethanimidamide;1-hydroxy-4-methylpyridin-1-ium;2-methylaniline;2-methylbenzenecarboximidamide;N'-methylethanimidamide;1-methyl-2-methylsulfonylbenzene;4-methyl-3-methylsulfonylpyridine;4-methylpiperidine-1-carboximidamide;1-(4-methylpiperidin-1-yl)ethanimine;4-methylpyridine;4-methylpyridine-3-sulfonamide;1-piperidin-1-ylethanimine;1-pyrrolidin-1-ylethanimine;sulfur dioxide;N,N,2-trimethylbenzenecarboximidamide;N,N,N'-trimethylethanimidamide is sourced from PubChem (CID 158045815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).