1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione

C13H24N2O3 — CID 168900055

IUPAC1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCCCCON(C)CN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C13H24N2O3/c1-5-6-7-18-14(4)9-15-12(16)8-11(10(2)3)13(15)17/h10-11H,5-9H2,1-4H3
InChIKeyPHQMIOJHNJZLOR-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.64
Rot. Bonds7

About 1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione

1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 168900055) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID168900055
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCCCCON(C)CN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C13H24N2O3/c1-5-6-7-18-14(4)9-15-12(16)8-11(10(2)3)13(15)17/h10-11H,5-9H2,1-4H3
InChIKeyPHQMIOJHNJZLOR-UHFFFAOYSA-N
XLogP1.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione (CID 168900055) is 1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione is CCCCON(C)CN1C(=O)CC(C(C)C)C1=O.
What is the InChIKey of 1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is PHQMIOJHNJZLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-6-7-18-14(4)9-15-12(16)8-11(10(2)3)13(15)17/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione?
1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 256.35 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[butoxy(methyl)amino]methyl]-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 168900055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).