4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane

C105H130N18O15 — CID 167632670

IUPAC4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane
SMILESC.C=C1CCC(N2C(=O)c3ccc(N)cc3C2=O)C(=O)N1C(C)(C)C.C=C1CCC(N2Cc3c(N)cccc3C2=O)C(=O)N1C(C)(C)C.C=C1CCC(N2Cc3cc(N)ccc3C2=O)C(=O)N1C(C)(C)C.C=C1CCC(N2Cc3ccc(N)cc3C2=O)C(=O)N1C.C=C1CCC(N2Cc3cccc(N)c3C2=O)C(=O)N1C(C)(C)C.CC(C)(C)N1C(=O)CCC(N2C(=O)c3cccc(N)c3C2=O)C1=O
InChIInChI=1S/C18H21N3O3.3C18H23N3O2.C17H19N3O4.C15H17N3O2.CH4/c1-10-5-8-14(17(24)21(10)18(2,3)4)20-15(22)12-7-6-11(19)9-13(12)16(20)23;1-11-5-8-15(17(23)21(11)18(2,3)4)20-10-12-9-13(19)6-7-14(12)16(20)22;1-11-8-9-15(17(23)21(11)18(2,3)4)20-10-13-12(16(20)22)6-5-7-14(13)19;1-11-8-9-14(16(22)21(11)18(2,3)4)20-10-12-6-5-7-13(19)15(12)17(20)23;1-17(2,3)20-12(21)8-7-11(15(20)23)19-14(22)9-5-4-6-10(18)13(9)16(19)24;1-9-3-6-13(15(20)17(9)2)18-8-10-4-5-11(16)7-12(10)14(18)19;/h6-7,9,14H,1,5,8,19H2,2-4H3;6-7,9,15H,1,5,8,10,19H2,2-4H3;5-7,15H,1,8-10,19H2,2-4H3;5-7,14H,1,8-10,19H2,2-4H3;4-6,11H,7-8,18H2,1-3H3;4-5,7,13H,1,3,6,8,16H2,2H3;1H4
InChIKeyOAIRYMCJEJHLRM-UHFFFAOYSA-N
MW1884.31 g/mol
LogP12.93
Rot. Bonds6

About 4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane

4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane (PubChem CID 167632670) has the molecular formula C105H130N18O15 and a molecular weight of 1884.31 g/mol. Its IUPAC name is 4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane.

Molecular Properties

Compound Name4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane
PubChem CID167632670
Molecular FormulaC105H130N18O15
Molecular Weight1884.31 g/mol
Exact Mass1883.00
IUPAC Name4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane
SMILESC.C=C1CCC(N2C(=O)c3ccc(N)cc3C2=O)C(=O)N1C(C)(C)C.C=C1CCC(N2Cc3c(N)cccc3C2=O)C(=O)N1C(C)(C)C.C=C1CCC(N2Cc3cc(N)ccc3C2=O)C(=O)N1C(C)(C)C.C=C1CCC(N2Cc3ccc(N)cc3C2=O)C(=O)N1C.C=C1CCC(N2Cc3cccc(N)c3C2=O)C(=O)N1C(C)(C)C.CC(C)(C)N1C(=O)CCC(N2C(=O)c3cccc(N)c3C2=O)C1=O
InChIInChI=1S/C18H21N3O3.3C18H23N3O2.C17H19N3O4.C15H17N3O2.CH4/c1-10-5-8-14(17(24)21(10)18(2,3)4)20-15(22)12-7-6-11(19)9-13(12)16(20)23;1-11-5-8-15(17(23)21(11)18(2,3)4)20-10-12-9-13(19)6-7-14(12)16(20)22;1-11-8-9-15(17(23)21(11)18(2,3)4)20-10-13-12(16(20)22)6-5-7-14(13)19;1-11-8-9-14(16(22)21(11)18(2,3)4)20-10-12-6-5-7-13(19)15(12)17(20)23;1-17(2,3)20-12(21)8-7-11(15(20)23)19-14(22)9-5-4-6-10(18)13(9)16(19)24;1-9-3-6-13(15(20)17(9)2)18-8-10-4-5-11(16)7-12(10)14(18)19;/h6-7,9,14H,1,5,8,19H2,2-4H3;6-7,9,15H,1,5,8,10,19H2,2-4H3;5-7,15H,1,8-10,19H2,2-4H3;5-7,14H,1,8-10,19H2,2-4H3;4-6,11H,7-8,18H2,1-3H3;4-5,7,13H,1,3,6,8,16H2,2H3;1H4
InChIKeyOAIRYMCJEJHLRM-UHFFFAOYSA-N
XLogP12.93
TPSA451.05 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds6
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001884.31
LogP ≤ 512.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane with MolForge

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Launch Full Analysis

Related Compounds

4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 159559860
4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-amino-2-(3-methyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;methane
CID 157370430
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 25135307
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 158795821
4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-tert-butyl-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane
CID 165070721
4-methyl-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 142650795
N-[2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide
CID 162094806
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
2-(1-methyl-2,6-dioxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione
CID 170640142
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)
CID 163449958
1-methyl-3-[6-(2-methylpropyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170278341

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane?
The IUPAC name of 4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane (CID 167632670) is 4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane.
What is the SMILES notation for 4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane?
The canonical SMILES for 4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane is C.C=C1CCC(N2C(=O)c3ccc(N)cc3C2=O)C(=O)N1C(C)(C)C.C=C1CCC(N2Cc3c(N)cccc3C2=O)C(=O)N1C(C)(C)C.C=C1CCC(N2Cc3cc(N)ccc3C2=O)C(=O)N1C(C)(C)C.C=C1CCC(N2Cc3ccc(N)cc3C2=O)C(=O)N1C.C=C1CCC(N2Cc3cccc(N)c3C2=O)C(=O)N1C(C)(C)C.CC(C)(C)N1C(=O)CCC(N2C(=O)c3cccc(N)c3C2=O)C1=O.
What is the InChIKey of 4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane?
The InChIKey is OAIRYMCJEJHLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.3C18H23N3O2.C17H19N3O4.C15H17N3O2.CH4/c1-10-5-8-14(17(24)21(10)18(2,3)4)20-15(22)12-7-6-11(19)9-13(12)16(20)23;1-11-5-8-15(17(23)21(11)18(2,3)4)20-10-12-9-13(19)6-7-14(12)16(20)22;1-11-8-9-15(17(23)21(11)18(2,3)4)20-10-13-12(16(20)22)6-5-7-14(13)19;1-11-8-9-14(16(22)21(11)18(2,3)4)20-10-12-6-5-7-13(19)15(12)17(20)23;1-17(2,3)20-12(21)8-7-11(15(20)23)19-14(22)9-5-4-6-10(18)13(9)16(19)24;1-9-3-6-13(15(20)17(9)2)18-8-10-4-5-11(16)7-12(10)14(18)19;/h6-7,9,14H,1,5,8,19H2,2-4H3;6-7,9,15H,1,5,8,10,19H2,2-4H3;5-7,15H,1,8-10,19H2,2-4H3;5-7,14H,1,8-10,19H2,2-4H3;4-6,11H,7-8,18H2,1-3H3;4-5,7,13H,1,3,6,8,16H2,2H3;1H4.
What are the key properties of 4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane?
4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane has a molecular weight of 1884.31 g/mol, XLogP of 12.93, 6 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-tert-butyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;7-amino-2-(1-tert-butyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;6-amino-2-(1-methyl-6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;methane is sourced from PubChem (CID 167632670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).