5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate

C84H147Cl3F6N11O13P — CID 158831275

IUPAC5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate
SMILESCC(C)(C)OC(=O)NCCC=O.CC(C)C(C)C(=O)O.CC(C)C(C)C(N)=O.CC(C)C(C)C1=NC2(CC2)C(=O)N1.CC(C)C(C)C1=NC2(CC2)C(=O)N1Cc1ccccc1.CC(C)C(N)C1=NC2(CC2)C(=O)N1Cc1ccccc1.CCOC(=O)C1([NH3+])CC1.CC[O+](CC)CC.ClCCl.F[P-](F)(F)(F)(F)F.[Cl-].[H]/N=C(\OCC)C(C)C(C)C.[H][H]
InChIInChI=1S/C17H22N2O.C16H21N3O.C10H16N2O.C8H15NO3.C8H17NO.C6H11NO2.C6H13NO.C6H12O2.C6H15O.CH2Cl2.ClH.F6P.H2/c1-12(2)13(3)15-18-17(9-10-17)16(20)19(15)11-14-7-5-4-6-8-14;1-11(2)13(17)14-18-16(8-9-16)15(20)19(14)10-12-6-4-3-5-7-12;1-6(2)7(3)8-11-9(13)10(12-8)4-5-10;1-8(2,3)12-7(11)9-5-4-6-10;1-5-10-8(9)7(4)6(2)3;1-2-9-5(8)6(7)3-4-6;2*1-4(2)5(3)6(7)8;1-4-7(5-2)6-3;2-1-3;;1-7(2,3,4,5)6;/h4-8,12-13H,9-11H2,1-3H3;3-7,11,13H,8-10,17H2,1-2H3;6-7H,4-5H2,1-3H3,(H,11,12,13);6H,4-5H2,1-3H3,(H,9,11);6-7,9H,5H2,1-4H3;2-4,7H2,1H3;4-5H,1-3H3,(H2,7,8);4-5H,1-3H3,(H,7,8);4-6H2,1-3H3;1H2;1H;;1H/q;;;;;;;;+1;;;-1;/b;;;;9-8-;;;;;;;;
InChIKeyPWNGONRVCSXCKX-KBQHWSPPSA-N
MW1770.48 g/mol
LogP15.03
Rot. Bonds25

About 5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate

5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate (PubChem CID 158831275) has the molecular formula C84H147Cl3F6N11O13P and a molecular weight of 1770.48 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate
PubChem CID158831275
Molecular FormulaC84H147Cl3F6N11O13P
Molecular Weight1770.48 g/mol
Exact Mass1767.99
IUPAC Name5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate
SMILESCC(C)(C)OC(=O)NCCC=O.CC(C)C(C)C(=O)O.CC(C)C(C)C(N)=O.CC(C)C(C)C1=NC2(CC2)C(=O)N1.CC(C)C(C)C1=NC2(CC2)C(=O)N1Cc1ccccc1.CC(C)C(N)C1=NC2(CC2)C(=O)N1Cc1ccccc1.CCOC(=O)C1([NH3+])CC1.CC[O+](CC)CC.ClCCl.F[P-](F)(F)(F)(F)F.[Cl-].[H]/N=C(\OCC)C(C)C(C)C.[H][H]
InChIInChI=1S/C17H22N2O.C16H21N3O.C10H16N2O.C8H15NO3.C8H17NO.C6H11NO2.C6H13NO.C6H12O2.C6H15O.CH2Cl2.ClH.F6P.H2/c1-12(2)13(3)15-18-17(9-10-17)16(20)19(15)11-14-7-5-4-6-8-14;1-11(2)13(17)14-18-16(8-9-16)15(20)19(14)10-12-6-4-3-5-7-12;1-6(2)7(3)8-11-9(13)10(12-8)4-5-10;1-8(2,3)12-7(11)9-5-4-6-10;1-5-10-8(9)7(4)6(2)3;1-2-9-5(8)6(7)3-4-6;2*1-4(2)5(3)6(7)8;1-4-7(5-2)6-3;2-1-3;;1-7(2,3,4,5)6;/h4-8,12-13H,9-11H2,1-3H3;3-7,11,13H,8-10,17H2,1-2H3;6-7H,4-5H2,1-3H3,(H,11,12,13);6H,4-5H2,1-3H3,(H,9,11);6-7,9H,5H2,1-4H3;2-4,7H2,1H3;4-5H,1-3H3,(H2,7,8);4-5H,1-3H3,(H,7,8);4-6H2,1-3H3;1H2;1H;;1H/q;;;;;;;;+1;;;-1;/b;;;;9-8-;;;;;;;;
InChIKeyPWNGONRVCSXCKX-KBQHWSPPSA-N
XLogP15.03
TPSA358.33 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds25
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001770.48
LogP ≤ 515.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate with MolForge

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Related Compounds

1-[(4R)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone;dichloromethane;(Z)-hept-3-enal;(Z,4R)-4-hydroxydec-6-en-2-one;(Z,3R)-3-hydroxy-1-[(4R)-4-iminoboranyl-2-sulfanylidene-1,3-thiazolidin-3-yl]non-5-en-1-one;(4R)-4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]-5H-1,3-thiazole-4-carboxylic acid;[(Z)-non-5-en-3-yl] (2S)-2,3-dimethylbutanoate;[(Z)-non-5-en-3-yl] (2S)-3-methyl-2-[[(4R)-4-methyl-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]-5H-1,3-thiazole-4-carbonyl]amino]butanoate
CID 157207605
ethyl (3S,4R)-1-benzyl-3-fluoro-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-3-carboxylate
CID 155697948
tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate
CID 53439169
ethyl (3R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-3-(phenylmethoxycarbonylamino)pentanoate
CID 87252193
methyl (2S)-2-[(3S)-1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-3-yl]propanoate
CID 122223286
tert-butyl N-[2-[(3S)-1-benzyl-3-[(E)-2-methoxyethenyl]-2-oxoindol-3-yl]phenyl]carbamate
CID 11305928
tert-butyl N-[4-[3-(ethylaminomethyl)phenyl]but-3-enyl]carbamate
CID 170490850
tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525
tert-butyl N-[2-[[benzyl(propan-2-yl)carbamoyl]amino]ethyl]carbamate
CID 108864351
tert-butyl N-[(1-benzyl-4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate
CID 127264024
ethyl (Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylhex-3-enoate
CID 18322978
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 60613829

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate?
The IUPAC name of 5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate (CID 158831275) is 5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate?
The canonical SMILES for 5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate is CC(C)(C)OC(=O)NCCC=O.CC(C)C(C)C(=O)O.CC(C)C(C)C(N)=O.CC(C)C(C)C1=NC2(CC2)C(=O)N1.CC(C)C(C)C1=NC2(CC2)C(=O)N1Cc1ccccc1.CC(C)C(N)C1=NC2(CC2)C(=O)N1Cc1ccccc1.CCOC(=O)C1([NH3+])CC1.CC[O+](CC)CC.ClCCl.F[P-](F)(F)(F)(F)F.[Cl-].[H]/N=C(\OCC)C(C)C(C)C.[H][H].
What is the InChIKey of 5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate?
The InChIKey is PWNGONRVCSXCKX-KBQHWSPPSA-N. The full InChI is InChI=1S/C17H22N2O.C16H21N3O.C10H16N2O.C8H15NO3.C8H17NO.C6H11NO2.C6H13NO.C6H12O2.C6H15O.CH2Cl2.ClH.F6P.H2/c1-12(2)13(3)15-18-17(9-10-17)16(20)19(15)11-14-7-5-4-6-8-14;1-11(2)13(17)14-18-16(8-9-16)15(20)19(14)10-12-6-4-3-5-7-12;1-6(2)7(3)8-11-9(13)10(12-8)4-5-10;1-8(2,3)12-7(11)9-5-4-6-10;1-5-10-8(9)7(4)6(2)3;1-2-9-5(8)6(7)3-4-6;2*1-4(2)5(3)6(7)8;1-4-7(5-2)6-3;2-1-3;;1-7(2,3,4,5)6;/h4-8,12-13H,9-11H2,1-3H3;3-7,11,13H,8-10,17H2,1-2H3;6-7H,4-5H2,1-3H3,(H,11,12,13);6H,4-5H2,1-3H3,(H,9,11);6-7,9H,5H2,1-4H3;2-4,7H2,1H3;4-5H,1-3H3,(H2,7,8);4-5H,1-3H3,(H,7,8);4-6H2,1-3H3;1H2;1H;;1H/q;;;;;;;;+1;;;-1;/b;;;;9-8-;;;;;;;;.
What are the key properties of 5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate?
5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate has a molecular weight of 1770.48 g/mol, XLogP of 15.03, 25 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylpropyl)-6-benzyl-4,6-diazaspiro[2.4]hept-4-en-7-one;6-benzyl-5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;tert-butyl N-(3-oxopropyl)carbamate;dichloromethane;2,3-dimethylbutanamide;2,3-dimethylbutanoic acid;(1-ethoxycarbonylcyclopropyl)azanium;ethyl 2,3-dimethylbutanimidate;5-(3-methylbutan-2-yl)-4,6-diazaspiro[2.4]hept-4-en-7-one;molecular hydrogen;triethyloxidanium;chloride;hexafluorophosphate is sourced from PubChem (CID 158831275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).