2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide

C11H23N3O — CID 63217657

IUPAC2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide
SMILESCC(N)(CCN1CCCC1(C)C)C(N)=O
InChIInChI=1S/C11H23N3O/c1-10(2)5-4-7-14(10)8-6-11(3,13)9(12)15/h4-8,13H2,1-3H3,(H2,12,15)
InChIKeyDBBRUAKJYVYAKY-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.45
Rot. Bonds4

About 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide

2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide (PubChem CID 63217657) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide
PubChem CID63217657
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide
SMILESCC(N)(CCN1CCCC1(C)C)C(N)=O
InChIInChI=1S/C11H23N3O/c1-10(2)5-4-7-14(10)8-6-11(3,13)9(12)15/h4-8,13H2,1-3H3,(H2,12,15)
InChIKeyDBBRUAKJYVYAKY-UHFFFAOYSA-N
XLogP0.45
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide
CID 63217659
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693857
ethyl 2-amino-5-(2,2-dimethylpyrrolidin-1-yl)-2-methylpentanoate
CID 55161934
ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate
CID 63217207
ethyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63217699
methyl 4-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoate
CID 55162522
5-(2,2-dimethylpyrrolidin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254003
5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one
CID 63217799
ethyl 5-(2,2-dimethylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 63217386
2-amino-6-(4-ethyl-4-methylpiperidin-1-yl)-2-methylhexanamide
CID 63158997
3-(2,2-dimethylpyrrolidin-1-yl)-N-methylpropanamide
CID 130638261
3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypropanimidamide
CID 76987380

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide?
The IUPAC name of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide (CID 63217657) is 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide?
The canonical SMILES for 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide is CC(N)(CCN1CCCC1(C)C)C(N)=O.
What is the InChIKey of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide?
The InChIKey is DBBRUAKJYVYAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(2)5-4-7-14(10)8-6-11(3,13)9(12)15/h4-8,13H2,1-3H3,(H2,12,15).
What are the key properties of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide?
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide has a molecular weight of 213.32 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanamide is sourced from PubChem (CID 63217657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).