1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one

C184H330N28O16 — CID 158543329

IUPAC1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one
SMILESCNC1CCCCN(C2CC3CCC(C3)C2)C1=O.CNC1CCCCN(C2CC=CC2)C1=O.CNC1CCCCN(C2CC=CCC2)C1=O.CNC1CCCCN(C2CCC3CC3C2)C1=O.CNC1CCCCN(C2CCCCC2)C1=O.CNC1CCCCN(C2CCCCCC2)C1=O.CNC1CCCCN(CC2CC2)C1=O.CNC1CCCCN(CC2CCC2)C1=O.CNC1CCCCN(CC2CCC3CC32)C1=O.CNC1CCCCN(CC2CCCC2)C1=O.CNC1CCCCN(CC2CCCCC2)C1=O.CNC1CCCCN(CC2CCCCCC2)C1=O.CNC1CCCCN(CC2CCCCCO2)C1=O.CNC1CCCCN(CC2CO2)C1=O
InChIInChI=1S/C15H26N2O.C15H28N2O.C14H26N2O2.2C14H24N2O.2C14H26N2O.2C13H24N2O.C13H22N2O.C12H22N2O.C12H20N2O.C11H20N2O.C10H18N2O2/c1-16-14-4-2-3-7-17(15(14)18)13-9-11-5-6-12(8-11)10-13;1-16-14-10-6-7-11-17(15(14)18)12-13-8-4-2-3-5-9-13;1-15-13-8-4-5-9-16(14(13)17)11-12-7-3-2-6-10-18-12;1-15-13-4-2-3-7-16(14(13)17)12-6-5-10-8-11(10)9-12;1-15-13-4-2-3-7-16(14(13)17)9-11-6-5-10-8-12(10)11;1-15-13-9-5-6-10-16(14(13)17)11-12-7-3-2-4-8-12;1-15-13-10-6-7-11-16(14(13)17)12-8-4-2-3-5-9-12;1-14-12-8-4-5-9-15(13(12)16)10-11-6-2-3-7-11;2*1-14-12-9-5-6-10-15(13(12)16)11-7-3-2-4-8-11;1-13-11-7-2-3-8-14(12(11)15)9-10-5-4-6-10;1-13-11-8-4-5-9-14(12(11)15)10-6-2-3-7-10;1-12-10-4-2-3-7-13(11(10)14)8-9-5-6-9;1-11-9-4-2-3-5-12(10(9)13)6-8-7-14-8/h11-14,16H,2-10H2,1H3;13-14,16H,2-12H2,1H3;12-13,15H,2-11H2,1H3;2*10-13,15H,2-9H2,1H3;2*12-13,15H,2-11H2,1H3;2*11-12,14H,2-10H2,1H3;2-3,11-12,14H,4-10H2,1H3;10-11,13H,2-9H2,1H3;2-3,10-11,13H,4-9H2,1H3;9-10,12H,2-8H2,1H3;8-9,11H,2-7H2,1H3
InChIKeyHOUKNOVSVBEBEV-UHFFFAOYSA-N
MW3190.84 g/mol
LogP23.22
Rot. Bonds36

About 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one

1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one (PubChem CID 158543329) has the molecular formula C184H330N28O16 and a molecular weight of 3190.84 g/mol. Its IUPAC name is 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one
PubChem CID158543329
Molecular FormulaC184H330N28O16
Molecular Weight3190.84 g/mol
Exact Mass3188.59
IUPAC Name1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one
SMILESCNC1CCCCN(C2CC3CCC(C3)C2)C1=O.CNC1CCCCN(C2CC=CC2)C1=O.CNC1CCCCN(C2CC=CCC2)C1=O.CNC1CCCCN(C2CCC3CC3C2)C1=O.CNC1CCCCN(C2CCCCC2)C1=O.CNC1CCCCN(C2CCCCCC2)C1=O.CNC1CCCCN(CC2CC2)C1=O.CNC1CCCCN(CC2CCC2)C1=O.CNC1CCCCN(CC2CCC3CC32)C1=O.CNC1CCCCN(CC2CCCC2)C1=O.CNC1CCCCN(CC2CCCCC2)C1=O.CNC1CCCCN(CC2CCCCCC2)C1=O.CNC1CCCCN(CC2CCCCCO2)C1=O.CNC1CCCCN(CC2CO2)C1=O
InChIInChI=1S/C15H26N2O.C15H28N2O.C14H26N2O2.2C14H24N2O.2C14H26N2O.2C13H24N2O.C13H22N2O.C12H22N2O.C12H20N2O.C11H20N2O.C10H18N2O2/c1-16-14-4-2-3-7-17(15(14)18)13-9-11-5-6-12(8-11)10-13;1-16-14-10-6-7-11-17(15(14)18)12-13-8-4-2-3-5-9-13;1-15-13-8-4-5-9-16(14(13)17)11-12-7-3-2-6-10-18-12;1-15-13-4-2-3-7-16(14(13)17)12-6-5-10-8-11(10)9-12;1-15-13-4-2-3-7-16(14(13)17)9-11-6-5-10-8-12(10)11;1-15-13-9-5-6-10-16(14(13)17)11-12-7-3-2-4-8-12;1-15-13-10-6-7-11-16(14(13)17)12-8-4-2-3-5-9-12;1-14-12-8-4-5-9-15(13(12)16)10-11-6-2-3-7-11;2*1-14-12-9-5-6-10-15(13(12)16)11-7-3-2-4-8-11;1-13-11-7-2-3-8-14(12(11)15)9-10-5-4-6-10;1-13-11-8-4-5-9-14(12(11)15)10-6-2-3-7-10;1-12-10-4-2-3-7-13(11(10)14)8-9-5-6-9;1-11-9-4-2-3-5-12(10(9)13)6-8-7-14-8/h11-14,16H,2-10H2,1H3;13-14,16H,2-12H2,1H3;12-13,15H,2-11H2,1H3;2*10-13,15H,2-9H2,1H3;2*12-13,15H,2-11H2,1H3;2*11-12,14H,2-10H2,1H3;2-3,11-12,14H,4-10H2,1H3;10-11,13H,2-9H2,1H3;2-3,10-11,13H,4-9H2,1H3;9-10,12H,2-8H2,1H3;8-9,11H,2-7H2,1H3
InChIKeyHOUKNOVSVBEBEV-UHFFFAOYSA-N
XLogP23.22
TPSA474.52 Ų
H-Bond Donors14
H-Bond Acceptors30
Rotatable Bonds36
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003190.84
LogP ≤ 523.22
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(3-bicyclo[4.1.0]heptanyl)-4-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-4-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-4-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-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
CID 158145881
1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-7-methyl-3-(methylamino)azepan-2-one
CID 159464147
1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;bis(methyl 2-[3-(methylamino)-2-oxoazepan-1-yl]acetate)
CID 159403685
1-(2-bicyclo[2.2.1]heptanyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(cyclobutylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-cycloheptyl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(cyclohexylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(cyclopentylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-(cyclopropylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(oxepan-3-yl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 161050062
6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(3-bicyclo[4.1.0]heptanyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-methylsulfanyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(2-bicyclo[3.1.0]hexanylmethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-cyclohex-3-en-1-yl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
CID 159273281
3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one
CID 22984909
1-cyclohept-3-en-1-yl-3-(methylamino)azepan-2-one
CID 22984643
1-(1-bicyclo[2.2.1]heptanyl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[4.1.0]heptanyl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-7,7-dimethyl-3-(methylamino)azepan-2-one
CID 162238659
tris(1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-3-(methylamino)azepan-2-one);3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;bis(3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one);3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one
CID 159522728
4-(1-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(2-bicyclo[2.2.1]heptanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(3-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(6-bicyclo[3.2.1]octanylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclobutylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cycloheptylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclohexylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopentylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;4-(cyclopropylmethyl)-6-(methylamino)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxepan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(thiepan-2-ylmethyl)-1,4-thiazepan-5-one
CID 158365434
1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
CID 22984797
1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one
CID 157273264

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one?
The IUPAC name of 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one (CID 158543329) is 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one.
What is the SMILES notation for 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one?
The canonical SMILES for 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one is CNC1CCCCN(C2CC3CCC(C3)C2)C1=O.CNC1CCCCN(C2CC=CC2)C1=O.CNC1CCCCN(C2CC=CCC2)C1=O.CNC1CCCCN(C2CCC3CC3C2)C1=O.CNC1CCCCN(C2CCCCC2)C1=O.CNC1CCCCN(C2CCCCCC2)C1=O.CNC1CCCCN(CC2CC2)C1=O.CNC1CCCCN(CC2CCC2)C1=O.CNC1CCCCN(CC2CCC3CC32)C1=O.CNC1CCCCN(CC2CCCC2)C1=O.CNC1CCCCN(CC2CCCCC2)C1=O.CNC1CCCCN(CC2CCCCCC2)C1=O.CNC1CCCCN(CC2CCCCCO2)C1=O.CNC1CCCCN(CC2CO2)C1=O.
What is the InChIKey of 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one?
The InChIKey is HOUKNOVSVBEBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O.C15H28N2O.C14H26N2O2.2C14H24N2O.2C14H26N2O.2C13H24N2O.C13H22N2O.C12H22N2O.C12H20N2O.C11H20N2O.C10H18N2O2/c1-16-14-4-2-3-7-17(15(14)18)13-9-11-5-6-12(8-11)10-13;1-16-14-10-6-7-11-17(15(14)18)12-13-8-4-2-3-5-9-13;1-15-13-8-4-5-9-16(14(13)17)11-12-7-3-2-6-10-18-12;1-15-13-4-2-3-7-16(14(13)17)12-6-5-10-8-11(10)9-12;1-15-13-4-2-3-7-16(14(13)17)9-11-6-5-10-8-12(10)11;1-15-13-9-5-6-10-16(14(13)17)11-12-7-3-2-4-8-12;1-15-13-10-6-7-11-16(14(13)17)12-8-4-2-3-5-9-12;1-14-12-8-4-5-9-15(13(12)16)10-11-6-2-3-7-11;2*1-14-12-9-5-6-10-15(13(12)16)11-7-3-2-4-8-11;1-13-11-7-2-3-8-14(12(11)15)9-10-5-4-6-10;1-13-11-8-4-5-9-14(12(11)15)10-6-2-3-7-10;1-12-10-4-2-3-7-13(11(10)14)8-9-5-6-9;1-11-9-4-2-3-5-12(10(9)13)6-8-7-14-8/h11-14,16H,2-10H2,1H3;13-14,16H,2-12H2,1H3;12-13,15H,2-11H2,1H3;2*10-13,15H,2-9H2,1H3;2*12-13,15H,2-11H2,1H3;2*11-12,14H,2-10H2,1H3;2-3,11-12,14H,4-10H2,1H3;10-11,13H,2-9H2,1H3;2-3,10-11,13H,4-9H2,1H3;9-10,12H,2-8H2,1H3;8-9,11H,2-7H2,1H3.
What are the key properties of 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one?
1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one has a molecular weight of 3190.84 g/mol, XLogP of 23.22, 36 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[4.1.0]heptanyl)-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanyl)-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-3-(methylamino)azepan-2-one;1-cycloheptyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclohexyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one is sourced from PubChem (CID 158543329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).