1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one

C181H332N24O13S — CID 160612876

IUPAC1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one
SMILESCNC1CCCC(C)N(C23CCC(CC2)C3)C1=O.CNC1CCCC(C)N(CC2CC2)C1=O.CNC1CCCC(C)N(CC2CC3CCC(C3)C2)C1=O.CNC1CCCC(C)N(CC2CC3CCCC2C3)C1=O.CNC1CCCC(C)N(CC2CCC2)C1=O.CNC1CCCC(C)N(CC2CCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCO2)C1=O.CNC1CCCC(C)N(CC2CCCCCS2)C1=O
InChIInChI=1S/2C17H30N2O.3C16H30N2O.C15H28N2O2.C15H28N2OS.C15H26N2O.C15H28N2O.C14H26N2O.C13H24N2O.C12H22N2O/c1-12-5-3-8-16(18-2)17(20)19(12)11-15-10-13-6-4-7-14(15)9-13;1-12-4-3-5-16(18-2)17(20)19(12)11-15-9-13-6-7-14(8-13)10-15;3*1-13-8-7-11-15(17-2)16(19)18(13)12-14-9-5-3-4-6-10-14;2*1-12-7-6-9-14(16-2)15(18)17(12)11-13-8-4-3-5-10-19-13;1-11-4-3-5-13(16-2)14(18)17(11)15-8-6-12(10-15)7-9-15;1-12-7-6-10-14(16-2)15(18)17(12)11-13-8-4-3-5-9-13;1-11-6-5-9-13(15-2)14(17)16(11)10-12-7-3-4-8-12;1-10-5-3-8-12(14-2)13(16)15(10)9-11-6-4-7-11;1-9-4-3-5-11(13-2)12(15)14(9)8-10-6-7-10/h2*12-16,18H,3-11H2,1-2H3;3*13-15,17H,3-12H2,1-2H3;2*12-14,16H,3-11H2,1-2H3;11-13,16H,3-10H2,1-2H3;12-14,16H,3-11H2,1-2H3;11-13,15H,3-10H2,1-2H3;10-12,14H,3-9H2,1-2H3;9-11,13H,3-8H2,1-2H3
InChIKeyRFSBMDLCOKHENV-UHFFFAOYSA-N
MW3084.87 g/mol
LogP29.22
Rot. Bonds35

About 1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one

1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one (PubChem CID 160612876) has the molecular formula C181H332N24O13S and a molecular weight of 3084.87 g/mol. Its IUPAC name is 1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one
PubChem CID160612876
Molecular FormulaC181H332N24O13S
Molecular Weight3084.87 g/mol
Exact Mass3082.58
IUPAC Name1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one
SMILESCNC1CCCC(C)N(C23CCC(CC2)C3)C1=O.CNC1CCCC(C)N(CC2CC2)C1=O.CNC1CCCC(C)N(CC2CC3CCC(C3)C2)C1=O.CNC1CCCC(C)N(CC2CC3CCCC2C3)C1=O.CNC1CCCC(C)N(CC2CCC2)C1=O.CNC1CCCC(C)N(CC2CCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCO2)C1=O.CNC1CCCC(C)N(CC2CCCCCS2)C1=O
InChIInChI=1S/2C17H30N2O.3C16H30N2O.C15H28N2O2.C15H28N2OS.C15H26N2O.C15H28N2O.C14H26N2O.C13H24N2O.C12H22N2O/c1-12-5-3-8-16(18-2)17(20)19(12)11-15-10-13-6-4-7-14(15)9-13;1-12-4-3-5-16(18-2)17(20)19(12)11-15-9-13-6-7-14(8-13)10-15;3*1-13-8-7-11-15(17-2)16(19)18(13)12-14-9-5-3-4-6-10-14;2*1-12-7-6-9-14(16-2)15(18)17(12)11-13-8-4-3-5-10-19-13;1-11-4-3-5-13(16-2)14(18)17(11)15-8-6-12(10-15)7-9-15;1-12-7-6-10-14(16-2)15(18)17(12)11-13-8-4-3-5-9-13;1-11-6-5-9-13(15-2)14(17)16(11)10-12-7-3-4-8-12;1-10-5-3-8-12(14-2)13(16)15(10)9-11-6-4-7-11;1-9-4-3-5-11(13-2)12(15)14(9)8-10-6-7-10/h2*12-16,18H,3-11H2,1-2H3;3*13-15,17H,3-12H2,1-2H3;2*12-14,16H,3-11H2,1-2H3;11-13,16H,3-10H2,1-2H3;12-14,16H,3-11H2,1-2H3;11-13,15H,3-10H2,1-2H3;10-12,14H,3-9H2,1-2H3;9-11,13H,3-8H2,1-2H3
InChIKeyRFSBMDLCOKHENV-UHFFFAOYSA-N
XLogP29.22
TPSA397.31 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds35
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003084.87
LogP ≤ 529.22
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Analyze 1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(1-bicyclo[2.2.1]heptanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;1-(cyclopropylmethyl)-6,6-dimethyl-3-(methylamino)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;6,6-dimethyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one
CID 161030518
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
6-(1-bicyclo[2.2.1]heptanyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(2-bicyclo[2.2.1]heptanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(3-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(6-bicyclo[3.2.1]octanylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclobutylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;bis(6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one);6-(cyclohexylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;6-(cyclopropylmethyl)-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
CID 160687058
1-(2-bicyclo[2.2.1]heptanylmethyl)-7-methyl-3-(methylamino)azepan-2-one
CID 22985300
7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one
CID 22985312
1-(cycloheptylmethyl)-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-(cyclopentylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(oxepan-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 160575337
1-(cyclohexylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thiepan-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 90725296
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
7-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one
CID 22985305
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
1-(6-bicyclo[3.2.1]octanylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 23555023
1-(1-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanyl)-6-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;bis(1-(6-bicyclo[3.2.1]octanyl)-6-methyl-3-(methylamino)azepan-2-one);1-(3-bicyclo[3.2.1]octanylmethyl)-6-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-6-methyl-3-(methylamino)azepan-2-one
CID 157398389

Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one?
The IUPAC name of 1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one (CID 160612876) is 1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one.
What is the SMILES notation for 1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one?
The canonical SMILES for 1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one is CNC1CCCC(C)N(C23CCC(CC2)C3)C1=O.CNC1CCCC(C)N(CC2CC2)C1=O.CNC1CCCC(C)N(CC2CC3CCC(C3)C2)C1=O.CNC1CCCC(C)N(CC2CC3CCCC2C3)C1=O.CNC1CCCC(C)N(CC2CCC2)C1=O.CNC1CCCC(C)N(CC2CCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCO2)C1=O.CNC1CCCC(C)N(CC2CCCCCS2)C1=O.
What is the InChIKey of 1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one?
The InChIKey is RFSBMDLCOKHENV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H30N2O.3C16H30N2O.C15H28N2O2.C15H28N2OS.C15H26N2O.C15H28N2O.C14H26N2O.C13H24N2O.C12H22N2O/c1-12-5-3-8-16(18-2)17(20)19(12)11-15-10-13-6-4-7-14(15)9-13;1-12-4-3-5-16(18-2)17(20)19(12)11-15-9-13-6-7-14(8-13)10-15;3*1-13-8-7-11-15(17-2)16(19)18(13)12-14-9-5-3-4-6-10-14;2*1-12-7-6-9-14(16-2)15(18)17(12)11-13-8-4-3-5-10-19-13;1-11-4-3-5-13(16-2)14(18)17(11)15-8-6-12(10-15)7-9-15;1-12-7-6-10-14(16-2)15(18)17(12)11-13-8-4-3-5-9-13;1-11-6-5-9-13(15-2)14(17)16(11)10-12-7-3-4-8-12;1-10-5-3-8-12(14-2)13(16)15(10)9-11-6-4-7-11;1-9-4-3-5-11(13-2)12(15)14(9)8-10-6-7-10/h2*12-16,18H,3-11H2,1-2H3;3*13-15,17H,3-12H2,1-2H3;2*12-14,16H,3-11H2,1-2H3;11-13,16H,3-10H2,1-2H3;12-14,16H,3-11H2,1-2H3;11-13,15H,3-10H2,1-2H3;10-12,14H,3-9H2,1-2H3;9-11,13H,3-8H2,1-2H3.
What are the key properties of 1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one?
1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one has a molecular weight of 3084.87 g/mol, XLogP of 29.22, 35 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[2.2.1]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(3-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(6-bicyclo[3.2.1]octanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-(cyclobutylmethyl)-7-methyl-3-(methylamino)azepan-2-one;tris(1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-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;7-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one is sourced from PubChem (CID 160612876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).