1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one

C151H231N37O14S2 — CID 160780393

IUPAC1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
SMILESCNC1C(=O)N(c2ccccc2)CCCC1C.CNC1C(=O)N(c2ccccn2)CCCC1C.CNC1C(=O)N(c2cccnc2)CCCC1C.CNC1C(=O)N(c2cccnn2)CCCC1C.CNC1C(=O)N(c2ccncc2)CCCC1C.CNC1C(=O)N(c2ccncn2)CCCC1C.CNC1CCCCN(CC2=CC(C)(C)C=C2)C1=O.CNC1CCCCN(CC2=CC=CC2(C)C)C1=O.CNC1CCCCN(Cc2cnc(C)o2)C1=O.CNC1CCCCN(Cc2cnc(C)s2)C1=O.CNC1CCCCN(Cc2nnco2)C1=O.CNC1CCCCN(Cc2nncs2)C1=O
InChIInChI=1S/2C15H24N2O.C14H20N2O.3C13H19N3O.2C12H18N4O.C12H19N3O2.C12H19N3OS.C10H16N4O2.C10H16N4OS/c1-15(2)9-6-7-12(15)11-17-10-5-4-8-13(16-3)14(17)18;1-15(2)8-7-12(10-15)11-17-9-5-4-6-13(16-3)14(17)18;1-11-7-6-10-16(14(17)13(11)15-2)12-8-4-3-5-9-12;1-10-5-4-8-16(13(17)12(10)14-2)11-6-3-7-15-9-11;1-10-4-3-9-16(13(17)12(10)14-2)11-5-7-15-8-6-11;1-10-6-5-9-16(13(17)12(10)14-2)11-7-3-4-8-15-11;1-9-5-4-8-16(12(17)11(9)13-2)10-6-3-7-14-15-10;1-9-4-3-7-16(12(17)11(9)13-2)10-5-6-14-8-15-10;2*1-9-14-7-10(17-9)8-15-6-4-3-5-11(13-2)12(15)16;2*1-11-8-4-2-3-5-14(10(8)15)6-9-13-12-7-16-9/h6-7,9,13,16H,4-5,8,10-11H2,1-3H3;7-8,10,13,16H,4-6,9,11H2,1-3H3;3-5,8-9,11,13,15H,6-7,10H2,1-2H3;3,6-7,9-10,12,14H,4-5,8H2,1-2H3;5-8,10,12,14H,3-4,9H2,1-2H3;3-4,7-8,10,12,14H,5-6,9H2,1-2H3;3,6-7,9,11,13H,4-5,8H2,1-2H3;5-6,8-9,11,13H,3-4,7H2,1-2H3;2*7,11,13H,3-6,8H2,1-2H3;2*7-8,11H,2-6H2,1H3
InChIKeySAMPCMVUALXIKX-UHFFFAOYSA-N
MW2852.89 g/mol
LogP15.65
Rot. Bonds30

About 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one

1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one (PubChem CID 160780393) has the molecular formula C151H231N37O14S2 and a molecular weight of 2852.89 g/mol. Its IUPAC name is 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one.

Molecular Properties

Compound Name1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
PubChem CID160780393
Molecular FormulaC151H231N37O14S2
Molecular Weight2852.89 g/mol
Exact Mass2850.79
IUPAC Name1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one
SMILESCNC1C(=O)N(c2ccccc2)CCCC1C.CNC1C(=O)N(c2ccccn2)CCCC1C.CNC1C(=O)N(c2cccnc2)CCCC1C.CNC1C(=O)N(c2cccnn2)CCCC1C.CNC1C(=O)N(c2ccncc2)CCCC1C.CNC1C(=O)N(c2ccncn2)CCCC1C.CNC1CCCCN(CC2=CC(C)(C)C=C2)C1=O.CNC1CCCCN(CC2=CC=CC2(C)C)C1=O.CNC1CCCCN(Cc2cnc(C)o2)C1=O.CNC1CCCCN(Cc2cnc(C)s2)C1=O.CNC1CCCCN(Cc2nnco2)C1=O.CNC1CCCCN(Cc2nncs2)C1=O
InChIInChI=1S/2C15H24N2O.C14H20N2O.3C13H19N3O.2C12H18N4O.C12H19N3O2.C12H19N3OS.C10H16N4O2.C10H16N4OS/c1-15(2)9-6-7-12(15)11-17-10-5-4-8-13(16-3)14(17)18;1-15(2)8-7-12(10-15)11-17-9-5-4-6-13(16-3)14(17)18;1-11-7-6-10-16(14(17)13(11)15-2)12-8-4-3-5-9-12;1-10-5-4-8-16(13(17)12(10)14-2)11-6-3-7-15-9-11;1-10-4-3-9-16(13(17)12(10)14-2)11-5-7-15-8-6-11;1-10-6-5-9-16(13(17)12(10)14-2)11-7-3-4-8-15-11;1-9-5-4-8-16(12(17)11(9)13-2)10-6-3-7-14-15-10;1-9-4-3-7-16(12(17)11(9)13-2)10-5-6-14-8-15-10;2*1-9-14-7-10(17-9)8-15-6-4-3-5-11(13-2)12(15)16;2*1-11-8-4-2-3-5-14(10(8)15)6-9-13-12-7-16-9/h6-7,9,13,16H,4-5,8,10-11H2,1-3H3;7-8,10,13,16H,4-6,9,11H2,1-3H3;3-5,8-9,11,13,15H,6-7,10H2,1-2H3;3,6-7,9-10,12,14H,4-5,8H2,1-2H3;5-8,10,12,14H,3-4,9H2,1-2H3;3-4,7-8,10,12,14H,5-6,9H2,1-2H3;3,6-7,9,11,13H,4-5,8H2,1-2H3;5-6,8-9,11,13H,3-4,7H2,1-2H3;2*7,11,13H,3-6,8H2,1-2H3;2*7-8,11H,2-6H2,1H3
InChIKeySAMPCMVUALXIKX-UHFFFAOYSA-N
XLogP15.65
TPSA581.93 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds30
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002852.89
LogP ≤ 515.65
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Analyze 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one?
The IUPAC name of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one (CID 160780393) is 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one.
What is the SMILES notation for 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one?
The canonical SMILES for 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one is CNC1C(=O)N(c2ccccc2)CCCC1C.CNC1C(=O)N(c2ccccn2)CCCC1C.CNC1C(=O)N(c2cccnc2)CCCC1C.CNC1C(=O)N(c2cccnn2)CCCC1C.CNC1C(=O)N(c2ccncc2)CCCC1C.CNC1C(=O)N(c2ccncn2)CCCC1C.CNC1CCCCN(CC2=CC(C)(C)C=C2)C1=O.CNC1CCCCN(CC2=CC=CC2(C)C)C1=O.CNC1CCCCN(Cc2cnc(C)o2)C1=O.CNC1CCCCN(Cc2cnc(C)s2)C1=O.CNC1CCCCN(Cc2nnco2)C1=O.CNC1CCCCN(Cc2nncs2)C1=O.
What is the InChIKey of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one?
The InChIKey is SAMPCMVUALXIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H24N2O.C14H20N2O.3C13H19N3O.2C12H18N4O.C12H19N3O2.C12H19N3OS.C10H16N4O2.C10H16N4OS/c1-15(2)9-6-7-12(15)11-17-10-5-4-8-13(16-3)14(17)18;1-15(2)8-7-12(10-15)11-17-9-5-4-6-13(16-3)14(17)18;1-11-7-6-10-16(14(17)13(11)15-2)12-8-4-3-5-9-12;1-10-5-4-8-16(13(17)12(10)14-2)11-6-3-7-15-9-11;1-10-4-3-9-16(13(17)12(10)14-2)11-5-7-15-8-6-11;1-10-6-5-9-16(13(17)12(10)14-2)11-7-3-4-8-15-11;1-9-5-4-8-16(12(17)11(9)13-2)10-6-3-7-14-15-10;1-9-4-3-7-16(12(17)11(9)13-2)10-5-6-14-8-15-10;2*1-9-14-7-10(17-9)8-15-6-4-3-5-11(13-2)12(15)16;2*1-11-8-4-2-3-5-14(10(8)15)6-9-13-12-7-16-9/h6-7,9,13,16H,4-5,8,10-11H2,1-3H3;7-8,10,13,16H,4-6,9,11H2,1-3H3;3-5,8-9,11,13,15H,6-7,10H2,1-2H3;3,6-7,9-10,12,14H,4-5,8H2,1-2H3;5-8,10,12,14H,3-4,9H2,1-2H3;3-4,7-8,10,12,14H,5-6,9H2,1-2H3;3,6-7,9,11,13H,4-5,8H2,1-2H3;5-6,8-9,11,13H,3-4,7H2,1-2H3;2*7,11,13H,3-6,8H2,1-2H3;2*7-8,11H,2-6H2,1H3.
What are the key properties of 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one?
1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one has a molecular weight of 2852.89 g/mol, XLogP of 15.65, 30 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylcyclopenta-1,4-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;1-[(5,5-dimethylcyclopenta-1,3-dien-1-yl)methyl]-3-(methylamino)azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-oxazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,4-thiadiazol-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one is sourced from PubChem (CID 160780393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).