1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione

C12H20N2O2 — CID 166780503

IUPAC1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione
SMILESCCC(C)(CC(C)(C)N)N1C(=O)C=CC1=O
InChIInChI=1S/C12H20N2O2/c1-5-12(4,8-11(2,3)13)14-9(15)6-7-10(14)16/h6-7H,5,8,13H2,1-4H3
InChIKeyMFKHSUOJJYYCEL-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.21
Rot. Bonds4

About 1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione

1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione (PubChem CID 166780503) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione
PubChem CID166780503
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione
SMILESCCC(C)(CC(C)(C)N)N1C(=O)C=CC1=O
InChIInChI=1S/C12H20N2O2/c1-5-12(4,8-11(2,3)13)14-9(15)6-7-10(14)16/h6-7H,5,8,13H2,1-4H3
InChIKeyMFKHSUOJJYYCEL-UHFFFAOYSA-N
XLogP1.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione
CID 165141180
1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione
CID 130234844
1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione
CID 139640710
1-(2,2,4,4-tetramethylpentyl)pyrrole-2,5-dione
CID 123912604
1-(2,4-dimethylpentan-2-yl)pyrrole-2,5-dione
CID 123254640
1-phosphorosopyrrole-2,5-dione
CID 130463981
4-[4-(4-amino-2,4-dimethylpentan-2-yl)phenyl]-2,4-dimethylpentan-2-amine
CID 67561114
3,3-dimethylhexane;1-methylpyrrole-2,5-dione
CID 142903150
actinium;carbanide;ethane;sulfane;1-(2,4,4-trimethyl-5-oxopentan-2-yl)pyrrole-2,5-dione
CID 153336723
2,6-bis(3-methylpentan-3-yl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 166974497
1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione
CID 177002738
ethane;2,4,4-trimethylhexan-2-amine
CID 143206912

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione (CID 166780503) is 1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione is CCC(C)(CC(C)(C)N)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione?
The InChIKey is MFKHSUOJJYYCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-5-12(4,8-11(2,3)13)14-9(15)6-7-10(14)16/h6-7H,5,8,13H2,1-4H3.
What are the key properties of 1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione?
1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 166780503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).