N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H20F3N3O — CID 55227266

IUPACN-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C)CCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H20F3N3O/c1-17(2)7-3-5-16-9(18)10(11(12,13)14)4-6-15-8-10/h15H,3-8H2,1-2H3,(H,16,18)
InChIKeyYUMNEILTTMDXET-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.60
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 55227266) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID55227266
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC NameN-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(C)CCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H20F3N3O/c1-17(2)7-3-5-16-9(18)10(11(12,13)14)4-6-15-8-10/h15H,3-8H2,1-2H3,(H,16,18)
InChIKeyYUMNEILTTMDXET-UHFFFAOYSA-N
XLogP0.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 55227266) is N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(C)CCCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is YUMNEILTTMDXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-17(2)7-3-5-16-9(18)10(11(12,13)14)4-6-15-8-10/h15H,3-8H2,1-2H3,(H,16,18).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55227266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).