1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one

C162H310N28O16S4 — CID 158117352

IUPAC1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one
SMILESCCC(C)(C)N1CCCC(C)C(NC)C1=O.CCN1CCCC(C)C(NC)C1=O.CNC1C(=O)N(C(C)(C)C)CCCC1C.CNC1C(=O)N(C(C)C)CCCC1C.CNC1C(=O)N(C)CCCC1C.CNC1C(=O)N(C2CC2)CCCC1C.CNC1C(=O)N(C2CCC2)CCCC1C.CNC1C(=O)N(C2CCCC2)CCCC1C.CNC1C(=O)N(CC(C)C)CCCC1C.CNC1C(=O)NCCCC1C.CNC1CCCCN(CC2CCCCS2)C1=O.CNC1CCCCN(CC2CCCSC2)C1=O.CNC1CCCCN(CC2CCS(=O)(=O)C2)C1=O.CNC1CCCCN(CC2CCSCC2)C1=O
InChIInChI=1S/3C13H24N2OS.C13H24N2O.C13H26N2O.C12H22N2O3S.C12H22N2O.2C12H24N2O.C11H20N2O.C11H22N2O.C10H20N2O.C9H18N2O.C8H16N2O/c1-14-12-7-2-4-8-15(13(12)16)10-11-6-3-5-9-17-11;1-14-12-6-2-3-7-15(13(12)16)9-11-5-4-8-17-10-11;1-14-12-4-2-3-7-15(13(12)16)10-11-5-8-17-9-6-11;1-10-6-5-9-15(11-7-3-4-8-11)13(16)12(10)14-2;1-6-13(3,4)15-9-7-8-10(2)11(14-5)12(15)16;1-13-11-4-2-3-6-14(12(11)15)8-10-5-7-18(16,17)9-10;1-9-5-4-8-14(10-6-3-7-10)12(15)11(9)13-2;1-9-7-6-8-14(12(2,3)4)11(15)10(9)13-5;1-9(2)8-14-7-5-6-10(3)11(13-4)12(14)15;1-8-4-3-7-13(9-5-6-9)11(14)10(8)12-2;1-8(2)13-7-5-6-9(3)10(12-4)11(13)14;1-4-12-7-5-6-8(2)9(11-3)10(12)13;1-7-5-4-6-11(3)9(12)8(7)10-2;1-6-4-3-5-10-8(11)7(6)9-2/h3*11-12,14H,2-10H2,1H3;10-12,14H,3-9H2,1-2H3;10-11,14H,6-9H2,1-5H3;10-11,13H,2-9H2,1H3;9-11,13H,3-8H2,1-2H3;9-10,13H,6-8H2,1-5H3;9-11,13H,5-8H2,1-4H3;8-10,12H,3-7H2,1-2H3;8-10,12H,5-7H2,1-4H3;8-9,11H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyFREFAPGKFCFLLV-UHFFFAOYSA-N
MW3034.71 g/mol
LogP17.33
Rot. Bonds31

About 1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one

1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one (PubChem CID 158117352) has the molecular formula C162H310N28O16S4 and a molecular weight of 3034.71 g/mol. Its IUPAC name is 1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one
PubChem CID158117352
Molecular FormulaC162H310N28O16S4
Molecular Weight3034.71 g/mol
Exact Mass3032.32
IUPAC Name1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one
SMILESCCC(C)(C)N1CCCC(C)C(NC)C1=O.CCN1CCCC(C)C(NC)C1=O.CNC1C(=O)N(C(C)(C)C)CCCC1C.CNC1C(=O)N(C(C)C)CCCC1C.CNC1C(=O)N(C)CCCC1C.CNC1C(=O)N(C2CC2)CCCC1C.CNC1C(=O)N(C2CCC2)CCCC1C.CNC1C(=O)N(C2CCCC2)CCCC1C.CNC1C(=O)N(CC(C)C)CCCC1C.CNC1C(=O)NCCCC1C.CNC1CCCCN(CC2CCCCS2)C1=O.CNC1CCCCN(CC2CCCSC2)C1=O.CNC1CCCCN(CC2CCS(=O)(=O)C2)C1=O.CNC1CCCCN(CC2CCSCC2)C1=O
InChIInChI=1S/3C13H24N2OS.C13H24N2O.C13H26N2O.C12H22N2O3S.C12H22N2O.2C12H24N2O.C11H20N2O.C11H22N2O.C10H20N2O.C9H18N2O.C8H16N2O/c1-14-12-7-2-4-8-15(13(12)16)10-11-6-3-5-9-17-11;1-14-12-6-2-3-7-15(13(12)16)9-11-5-4-8-17-10-11;1-14-12-4-2-3-7-15(13(12)16)10-11-5-8-17-9-6-11;1-10-6-5-9-15(11-7-3-4-8-11)13(16)12(10)14-2;1-6-13(3,4)15-9-7-8-10(2)11(14-5)12(15)16;1-13-11-4-2-3-6-14(12(11)15)8-10-5-7-18(16,17)9-10;1-9-5-4-8-14(10-6-3-7-10)12(15)11(9)13-2;1-9-7-6-8-14(12(2,3)4)11(15)10(9)13-5;1-9(2)8-14-7-5-6-10(3)11(13-4)12(14)15;1-8-4-3-7-13(9-5-6-9)11(14)10(8)12-2;1-8(2)13-7-5-6-9(3)10(12-4)11(13)14;1-4-12-7-5-6-8(2)9(11-3)10(12)13;1-7-5-4-6-11(3)9(12)8(7)10-2;1-6-4-3-5-10-8(11)7(6)9-2/h3*11-12,14H,2-10H2,1H3;10-12,14H,3-9H2,1-2H3;10-11,14H,6-9H2,1-5H3;10-11,13H,2-9H2,1H3;9-11,13H,3-8H2,1-2H3;9-10,13H,6-8H2,1-5H3;9-11,13H,5-8H2,1-4H3;8-10,12H,3-7H2,1-2H3;8-10,12H,5-7H2,1-4H3;8-9,11H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyFREFAPGKFCFLLV-UHFFFAOYSA-N
XLogP17.33
TPSA495.69 Ų
H-Bond Donors15
H-Bond Acceptors33
Rotatable Bonds31
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003034.71
LogP ≤ 517.33
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1033

Analyze 1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-tert-butyl-3-(methylamino)azepan-2-one;1-[2-(dimethylamino)ethyl]-3-(methylamino)azepan-2-one;6-[(1,1-dioxothiolan-2-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1,1-dioxothiolan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;1-ethyl-3-(methylamino)azepan-2-one;1-(2-hydroxypropyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;8-(methylamino)-6-(oxan-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;3-(methylamino)-1-propan-2-ylazepan-2-one;8-(methylamino)-6-(thian-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thian-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thian-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;1-methyl-3-(methylamino)azepan-2-one
CID 159393578
1-tert-butyl-3-(methylamino)azepan-2-one;6-[(1,1-dioxothiolan-2-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1,1-dioxothiolan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;1-ethyl-3-(methylamino)azepan-2-one;8-(methylamino)-6-(oxan-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxan-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxolan-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;3-(methylamino)-1-propan-2-ylazepan-2-one;8-(methylamino)-6-(thian-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thian-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thian-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thiolan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 158582865
6-tert-butyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;6-[(1,1-dioxothiolan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;6-ethyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(oxan-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(oxan-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(oxolan-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-propan-2-yl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thian-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thian-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thian-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thiolan-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thiolan-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;6-methyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
CID 159032871
6-tert-butyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-[2-(dimethylamino)ethyl]-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2,2-dimethylpropyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-ethyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-hydroxypropyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methylbutan-2-yl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(2-methylpropyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-propan-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;3-(methylamino)-1-(thian-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thian-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thian-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;6-methyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
CID 162051743
6-tert-butyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;1-[(1,1-dioxothiolan-2-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;6-ethyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;3-(methylamino)-1-(oxan-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(oxan-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(oxolan-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;8-(methylamino)-6-propan-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;3-(methylamino)-1-(thian-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thian-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thian-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thiolan-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thiolan-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;6-methyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
CID 160631944
tris(1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one);1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one
CID 160610876
1-[(1,1-dioxothiolan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one
CID 159524813
tris(4-(cyclohexylmethyl)-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one);4-(cyclopentylmethyl)-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1,1-dioxothian-3-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(oxolan-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thian-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thiolan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thiolan-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxan-3-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-4-(oxan-4-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-4-(oxetan-3-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one
CID 159937832
1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one
CID 159863035
1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one
CID 158661421
4-[(1,1-dioxothian-3-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1,1-dioxothian-4-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1,1-dioxothiolan-3-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1-ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(oxolan-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thian-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thiolan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thiolan-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxan-3-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-4-(oxan-4-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-4-(oxetan-3-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one
CID 162263412
1-[(1,1-dioxothian-3-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1,1-dioxothian-4-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1,1-dioxothiolan-2-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1-ethylazepan-2-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thian-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thian-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thian-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 159996257

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one?
The IUPAC name of 1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one (CID 158117352) is 1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one.
What is the SMILES notation for 1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one?
The canonical SMILES for 1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one is CCC(C)(C)N1CCCC(C)C(NC)C1=O.CCN1CCCC(C)C(NC)C1=O.CNC1C(=O)N(C(C)(C)C)CCCC1C.CNC1C(=O)N(C(C)C)CCCC1C.CNC1C(=O)N(C)CCCC1C.CNC1C(=O)N(C2CC2)CCCC1C.CNC1C(=O)N(C2CCC2)CCCC1C.CNC1C(=O)N(C2CCCC2)CCCC1C.CNC1C(=O)N(CC(C)C)CCCC1C.CNC1C(=O)NCCCC1C.CNC1CCCCN(CC2CCCCS2)C1=O.CNC1CCCCN(CC2CCCSC2)C1=O.CNC1CCCCN(CC2CCS(=O)(=O)C2)C1=O.CNC1CCCCN(CC2CCSCC2)C1=O.
What is the InChIKey of 1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one?
The InChIKey is FREFAPGKFCFLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H24N2OS.C13H24N2O.C13H26N2O.C12H22N2O3S.C12H22N2O.2C12H24N2O.C11H20N2O.C11H22N2O.C10H20N2O.C9H18N2O.C8H16N2O/c1-14-12-7-2-4-8-15(13(12)16)10-11-6-3-5-9-17-11;1-14-12-6-2-3-7-15(13(12)16)9-11-5-4-8-17-10-11;1-14-12-4-2-3-7-15(13(12)16)10-11-5-8-17-9-6-11;1-10-6-5-9-15(11-7-3-4-8-11)13(16)12(10)14-2;1-6-13(3,4)15-9-7-8-10(2)11(14-5)12(15)16;1-13-11-4-2-3-6-14(12(11)15)8-10-5-7-18(16,17)9-10;1-9-5-4-8-14(10-6-3-7-10)12(15)11(9)13-2;1-9-7-6-8-14(12(2,3)4)11(15)10(9)13-5;1-9(2)8-14-7-5-6-10(3)11(13-4)12(14)15;1-8-4-3-7-13(9-5-6-9)11(14)10(8)12-2;1-8(2)13-7-5-6-9(3)10(12-4)11(13)14;1-4-12-7-5-6-8(2)9(11-3)10(12)13;1-7-5-4-6-11(3)9(12)8(7)10-2;1-6-4-3-5-10-8(11)7(6)9-2/h3*11-12,14H,2-10H2,1H3;10-12,14H,3-9H2,1-2H3;10-11,14H,6-9H2,1-5H3;10-11,13H,2-9H2,1H3;9-11,13H,3-8H2,1-2H3;9-10,13H,6-8H2,1-5H3;9-11,13H,5-8H2,1-4H3;8-10,12H,3-7H2,1-2H3;8-10,12H,5-7H2,1-4H3;8-9,11H,4-7H2,1-3H3;7-8,10H,4-6H2,1-3H3;6-7,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one?
1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one has a molecular weight of 3034.71 g/mol, XLogP of 17.33, 31 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-4-methyl-3-(methylamino)azepan-2-one;1,4-dimethyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)azepan-2-one;1-ethyl-4-methyl-3-(methylamino)azepan-2-one;3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(2-methylpropyl)azepan-2-one;4-methyl-3-(methylamino)-1-propan-2-ylazepan-2-one is sourced from PubChem (CID 158117352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).