1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one

C12H24N2O — CID 117023315

IUPAC1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one
SMILESCCCCN1C(=O)CC(CNC)C1(C)C
InChIInChI=1S/C12H24N2O/c1-5-6-7-14-11(15)8-10(9-13-4)12(14,2)3/h10,13H,5-9H2,1-4H3
InChIKeyAIDQFTLIQFMNDF-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds5

About 1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one

1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one (PubChem CID 117023315) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one
PubChem CID117023315
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one
SMILESCCCCN1C(=O)CC(CNC)C1(C)C
InChIInChI=1S/C12H24N2O/c1-5-6-7-14-11(15)8-10(9-13-4)12(14,2)3/h10,13H,5-9H2,1-4H3
InChIKeyAIDQFTLIQFMNDF-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one?
The IUPAC name of 1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one (CID 117023315) is 1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one is CCCCN1C(=O)CC(CNC)C1(C)C.
What is the InChIKey of 1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one?
The InChIKey is AIDQFTLIQFMNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-6-7-14-11(15)8-10(9-13-4)12(14,2)3/h10,13H,5-9H2,1-4H3.
What are the key properties of 1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one?
1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5,5-dimethyl-4-(methylaminomethyl)pyrrolidin-2-one is sourced from PubChem (CID 117023315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).