1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine

C10H19F3N2O — CID 81332976

IUPAC1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine
SMILESCC1CC(NCCOCC(F)(F)F)CN1C
InChIInChI=1S/C10H19F3N2O/c1-8-5-9(6-15(8)2)14-3-4-16-7-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyQDBSDHQKKNBDRV-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds5

About 1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine

1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine (PubChem CID 81332976) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine
PubChem CID81332976
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine
SMILESCC1CC(NCCOCC(F)(F)F)CN1C
InChIInChI=1S/C10H19F3N2O/c1-8-5-9(6-15(8)2)14-3-4-16-7-10(11,12)13/h8-9,14H,3-7H2,1-2H3
InChIKeyQDBSDHQKKNBDRV-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
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 1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine (CID 81332976) is 1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine is CC1CC(NCCOCC(F)(F)F)CN1C.
What is the InChIKey of 1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine?
The InChIKey is QDBSDHQKKNBDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-8-5-9(6-15(8)2)14-3-4-16-7-10(11,12)13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine?
1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 81332976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).