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

C13H27N3O — CID 63217659

IUPAC4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide
SMILESCCNC(C)(CCN1CCCC1(C)C)C(N)=O
InChIInChI=1S/C13H27N3O/c1-5-15-13(4,11(14)17)8-10-16-9-6-7-12(16,2)3/h15H,5-10H2,1-4H3,(H2,14,17)
InChIKeyVLIFPHAZFLJJBH-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.10
Rot. Bonds6

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

4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide (PubChem CID 63217659) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide
PubChem CID63217659
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide
SMILESCCNC(C)(CCN1CCCC1(C)C)C(N)=O
InChIInChI=1S/C13H27N3O/c1-5-15-13(4,11(14)17)8-10-16-9-6-7-12(16,2)3/h15H,5-10H2,1-4H3,(H2,14,17)
InChIKeyVLIFPHAZFLJJBH-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide?
The IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide (CID 63217659) is 4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide?
The canonical SMILES for 4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide is CCNC(C)(CCN1CCCC1(C)C)C(N)=O.
What is the InChIKey of 4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide?
The InChIKey is VLIFPHAZFLJJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-15-13(4,11(14)17)8-10-16-9-6-7-12(16,2)3/h15H,5-10H2,1-4H3,(H2,14,17).
What are the key properties of 4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide?
4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylbutanamide is sourced from PubChem (CID 63217659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).