1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione

C28H53N3O2 — CID 143475780

IUPAC1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
SMILESC=C(CC1CC(=O)N(C(C)(C)CCNC(C)(C)CCN)C1=O)C(C)(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C28H53N3O2/c1-20(25(5,6)19-26(7,8)24(2,3)4)17-21-18-22(32)31(23(21)33)28(11,12)14-16-30-27(9,10)13-15-29/h21,30H,1,13-19,29H2,2-12H3
InChIKeyBFJOMOBCHFCPDX-UHFFFAOYSA-N
MW463.75 g/mol
LogP5.68
Rot. Bonds12

About 1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione

1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione (PubChem CID 143475780) has the molecular formula C28H53N3O2 and a molecular weight of 463.75 g/mol. Its IUPAC name is 1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
PubChem CID143475780
Molecular FormulaC28H53N3O2
Molecular Weight463.75 g/mol
Exact Mass463.41
IUPAC Name1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione
SMILESC=C(CC1CC(=O)N(C(C)(C)CCNC(C)(C)CCN)C1=O)C(C)(C)CC(C)(C)C(C)(C)C
InChIInChI=1S/C28H53N3O2/c1-20(25(5,6)19-26(7,8)24(2,3)4)17-21-18-22(32)31(23(21)33)28(11,12)14-16-30-27(9,10)13-15-29/h21,30H,1,13-19,29H2,2-12H3
InChIKeyBFJOMOBCHFCPDX-UHFFFAOYSA-N
XLogP5.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.75
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[4-[2-[4-[2-(2-aminoethoxy)ethyl]piperazin-1-yl]ethyl]piperazin-1-yl]ethoxy]ethyl]-3-(3,3,5,5,7,7,8,8-octamethyl-2-methylidenenonyl)pyrrolidine-2,5-dione
CID 176691298
3-hexyl-1-(2,4,4-trimethyl-5-oxohexan-2-yl)pyrrolidine-2,5-dione
CID 134506977
4-(3-amino-2,5-dioxopyrrolidin-1-yl)-2-ethyl-2,4-dimethylpentanal
CID 166829329
3-(3-amino-2,5-dioxopyrrolidin-1-yl)-3-methylbutanal
CID 138531855
tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate
CID 167630404
2-[2-[2,5-dioxo-3-(4,4,6,6-tetramethyl-2-methylideneheptyl)pyrrolidin-1-yl]ethylamino]ethylazanium
CID 123304420
N-(5-amino-2,4,4-trimethyl-6-oxohexan-2-yl)-2-[3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-3-methylbutoxy]propanamide
CID 145402100
1-tert-butyl-3-(2,2-dimethylbutyl)pyrrolidine-2,5-dione
CID 170254853
3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine
CID 115134988
4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide
CID 156889459
2,2,4-trimethyl-4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)pentanoyl iodide
CID 155374910
4-[3-(2-hydrazinyl-3-oxopropyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]-2,2,4-trimethyl-N-(2,4,4-trimethylpentan-2-yl)pentanamide
CID 143938618

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione (CID 143475780) is 1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione is C=C(CC1CC(=O)N(C(C)(C)CCNC(C)(C)CCN)C1=O)C(C)(C)CC(C)(C)C(C)(C)C.
What is the InChIKey of 1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
The InChIKey is BFJOMOBCHFCPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H53N3O2/c1-20(25(5,6)19-26(7,8)24(2,3)4)17-21-18-22(32)31(23(21)33)28(11,12)14-16-30-27(9,10)13-15-29/h21,30H,1,13-19,29H2,2-12H3.
What are the key properties of 1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione?
1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione has a molecular weight of 463.75 g/mol, XLogP of 5.68, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-amino-2-methylbutan-2-yl)amino]-2-methylbutan-2-yl]-3-(3,3,5,5,6,6-hexamethyl-2-methylideneheptyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 143475780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).