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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)azepan-2-one

C181H336N32O16 — CID 157323708

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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)azepan-2-one
SMILESCCC(C)(C)N1CCCCC(NC)C1=O.CCN1CCCCC(NC)C1=O.CNC1CCCCN(C(C)(C)C)C1=O.CNC1CCCCN(C(C)C)C1=O.CNC1CCCCN(C)C1=O.CNC1CCCCN(C2CC2)C1=O.CNC1CCCCN(C2CC=CC2)C1=O.CNC1CCCCN(C2CC=CCC2)C1=O.CNC1CCCCN(C2CCC2)C1=O.CNC1CCCCN(C2CCC3CC3C2)C1=O.CNC1CCCCN(C2CCCC2)C1=O.CNC1CCCCN(C2CCCCC2)C1=O.CNC1CCCCN(C2CCCCCC2)C1=O.CNC1CCCCN(CC(C)C)C1=O.CNC1CCCCN(CC2CCC3CC32)C1=O.CNC1CCCCNC1=O
InChIInChI=1S/2C14H24N2O.C14H26N2O.C13H24N2O.C13H22N2O.C12H22N2O.C12H20N2O.C12H24N2O.C11H20N2O.2C11H22N2O.C10H18N2O.C10H20N2O.C9H18N2O.C8H16N2O.C7H14N2O/c1-15-13-4-2-3-7-16(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;1-15-13-10-6-7-11-16(14(13)17)12-8-4-2-3-5-9-12;2*1-14-12-9-5-6-10-15(13(12)16)11-7-3-2-4-8-11;2*1-13-11-8-4-5-9-14(12(11)15)10-6-2-3-7-10;1-5-12(2,3)14-9-7-6-8-10(13-4)11(14)15;1-12-10-7-2-3-8-13(11(10)14)9-5-4-6-9;1-11(2,3)13-8-6-5-7-9(12-4)10(13)14;1-9(2)8-13-7-5-4-6-10(12-3)11(13)14;1-11-9-4-2-3-7-12(10(9)13)8-5-6-8;1-8(2)12-7-5-4-6-9(11-3)10(12)13;1-3-11-7-5-4-6-8(10-2)9(11)12;1-9-7-5-3-4-6-10(2)8(7)11;1-8-6-4-2-3-5-9-7(6)10/h2*10-13,15H,2-9H2,1H3;12-13,15H,2-11H2,1H3;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;10,13H,5-9H2,1-4H3;9-10,12H,2-8H2,1H3;9,12H,5-8H2,1-4H3;9-10,12H,4-8H2,1-3H3;8-9,11H,2-7H2,1H3;8-9,11H,4-7H2,1-3H3;8,10H,3-7H2,1-2H3;7,9H,3-6H2,1-2H3;6,8H,2-5H2,1H3,(H,9,10)
InChIKeyBELVKVCTCYDGCT-UHFFFAOYSA-N
MW3216.89 g/mol
LogP20.15
Rot. Bonds32

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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)azepan-2-one (PubChem CID 157323708) has the molecular formula C181H336N32O16 and a molecular weight of 3216.89 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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)azepan-2-one
PubChem CID157323708
Molecular FormulaC181H336N32O16
Molecular Weight3216.89 g/mol
Exact Mass3214.65
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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)azepan-2-one
SMILESCCC(C)(C)N1CCCCC(NC)C1=O.CCN1CCCCC(NC)C1=O.CNC1CCCCN(C(C)(C)C)C1=O.CNC1CCCCN(C(C)C)C1=O.CNC1CCCCN(C)C1=O.CNC1CCCCN(C2CC2)C1=O.CNC1CCCCN(C2CC=CC2)C1=O.CNC1CCCCN(C2CC=CCC2)C1=O.CNC1CCCCN(C2CCC2)C1=O.CNC1CCCCN(C2CCC3CC3C2)C1=O.CNC1CCCCN(C2CCCC2)C1=O.CNC1CCCCN(C2CCCCC2)C1=O.CNC1CCCCN(C2CCCCCC2)C1=O.CNC1CCCCN(CC(C)C)C1=O.CNC1CCCCN(CC2CCC3CC32)C1=O.CNC1CCCCNC1=O
InChIInChI=1S/2C14H24N2O.C14H26N2O.C13H24N2O.C13H22N2O.C12H22N2O.C12H20N2O.C12H24N2O.C11H20N2O.2C11H22N2O.C10H18N2O.C10H20N2O.C9H18N2O.C8H16N2O.C7H14N2O/c1-15-13-4-2-3-7-16(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;1-15-13-10-6-7-11-16(14(13)17)12-8-4-2-3-5-9-12;2*1-14-12-9-5-6-10-15(13(12)16)11-7-3-2-4-8-11;2*1-13-11-8-4-5-9-14(12(11)15)10-6-2-3-7-10;1-5-12(2,3)14-9-7-6-8-10(13-4)11(14)15;1-12-10-7-2-3-8-13(11(10)14)9-5-4-6-9;1-11(2,3)13-8-6-5-7-9(12-4)10(13)14;1-9(2)8-13-7-5-4-6-10(12-3)11(13)14;1-11-9-4-2-3-7-12(10(9)13)8-5-6-8;1-8(2)12-7-5-4-6-9(11-3)10(12)13;1-3-11-7-5-4-6-8(10-2)9(11)12;1-9-7-5-3-4-6-10(2)8(7)11;1-8-6-4-2-3-5-9-7(6)10/h2*10-13,15H,2-9H2,1H3;12-13,15H,2-11H2,1H3;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;10,13H,5-9H2,1-4H3;9-10,12H,2-8H2,1H3;9,12H,5-8H2,1-4H3;9-10,12H,4-8H2,1-3H3;8-9,11H,2-7H2,1H3;8-9,11H,4-7H2,1-3H3;8,10H,3-7H2,1-2H3;7,9H,3-6H2,1-2H3;6,8H,2-5H2,1H3,(H,9,10)
InChIKeyBELVKVCTCYDGCT-UHFFFAOYSA-N
XLogP20.15
TPSA526.23 Ų
H-Bond Donors17
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003216.89
LogP ≤ 520.15
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)azepan-2-one with MolForge

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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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)azepan-2-one (CID 157323708) 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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)azepan-2-one is CCC(C)(C)N1CCCCC(NC)C1=O.CCN1CCCCC(NC)C1=O.CNC1CCCCN(C(C)(C)C)C1=O.CNC1CCCCN(C(C)C)C1=O.CNC1CCCCN(C)C1=O.CNC1CCCCN(C2CC2)C1=O.CNC1CCCCN(C2CC=CC2)C1=O.CNC1CCCCN(C2CC=CCC2)C1=O.CNC1CCCCN(C2CCC2)C1=O.CNC1CCCCN(C2CCC3CC3C2)C1=O.CNC1CCCCN(C2CCCC2)C1=O.CNC1CCCCN(C2CCCCC2)C1=O.CNC1CCCCN(C2CCCCCC2)C1=O.CNC1CCCCN(CC(C)C)C1=O.CNC1CCCCN(CC2CCC3CC32)C1=O.CNC1CCCCNC1=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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)azepan-2-one?
The InChIKey is BELVKVCTCYDGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H24N2O.C14H26N2O.C13H24N2O.C13H22N2O.C12H22N2O.C12H20N2O.C12H24N2O.C11H20N2O.2C11H22N2O.C10H18N2O.C10H20N2O.C9H18N2O.C8H16N2O.C7H14N2O/c1-15-13-4-2-3-7-16(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;1-15-13-10-6-7-11-16(14(13)17)12-8-4-2-3-5-9-12;2*1-14-12-9-5-6-10-15(13(12)16)11-7-3-2-4-8-11;2*1-13-11-8-4-5-9-14(12(11)15)10-6-2-3-7-10;1-5-12(2,3)14-9-7-6-8-10(13-4)11(14)15;1-12-10-7-2-3-8-13(11(10)14)9-5-4-6-9;1-11(2,3)13-8-6-5-7-9(12-4)10(13)14;1-9(2)8-13-7-5-4-6-10(12-3)11(13)14;1-11-9-4-2-3-7-12(10(9)13)8-5-6-8;1-8(2)12-7-5-4-6-9(11-3)10(12)13;1-3-11-7-5-4-6-8(10-2)9(11)12;1-9-7-5-3-4-6-10(2)8(7)11;1-8-6-4-2-3-5-9-7(6)10/h2*10-13,15H,2-9H2,1H3;12-13,15H,2-11H2,1H3;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;10,13H,5-9H2,1-4H3;9-10,12H,2-8H2,1H3;9,12H,5-8H2,1-4H3;9-10,12H,4-8H2,1-3H3;8-9,11H,2-7H2,1H3;8-9,11H,4-7H2,1-3H3;8,10H,3-7H2,1-2H3;7,9H,3-6H2,1-2H3;6,8H,2-5H2,1H3,(H,9,10).
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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)azepan-2-one has a molecular weight of 3216.89 g/mol, XLogP of 20.15, 32 rotatable bonds, 17 hydrogen bond donors, and 32 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-tert-butyl-3-(methylamino)azepan-2-one;1-cyclobutyl-3-(methylamino)azepan-2-one;1-cycloheptyl-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-3-en-1-yl-3-(methylamino)azepan-2-one;1-cyclopentyl-3-(methylamino)azepan-2-one;1-cyclopropyl-3-(methylamino)azepan-2-one;1-ethyl-3-(methylamino)azepan-2-one;3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;3-(methylamino)-1-propan-2-ylazepan-2-one;1-methyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 157323708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).