1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C12H22F3N3O — CID 106317757

IUPAC1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCC(N)C(N1CCC(C)(C(=O)NC)C1)C(F)(F)F
InChIInChI=1S/C12H22F3N3O/c1-4-8(16)9(12(13,14)15)18-6-5-11(2,7-18)10(19)17-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyAVDYVKSVXUKGNC-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.11
Rot. Bonds4

About 1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106317757) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106317757
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCCC(N)C(N1CCC(C)(C(=O)NC)C1)C(F)(F)F
InChIInChI=1S/C12H22F3N3O/c1-4-8(16)9(12(13,14)15)18-6-5-11(2,7-18)10(19)17-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
InChIKeyAVDYVKSVXUKGNC-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106317757) is 1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CCC(N)C(N1CCC(C)(C(=O)NC)C1)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is AVDYVKSVXUKGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-4-8(16)9(12(13,14)15)18-6-5-11(2,7-18)10(19)17-3/h8-9H,4-7,16H2,1-3H3,(H,17,19).
What are the key properties of 1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluoropentan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106317757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).