1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C12H23F3N2 — CID 168820442

IUPAC1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCC(C)(C)N1CC(NCC(F)(F)F)CC1(C)C
InChIInChI=1S/C12H23F3N2/c1-10(2,3)17-7-9(6-11(17,4)5)16-8-12(13,14)15/h9,16H,6-8H2,1-5H3
InChIKeyWRONKJQDSUNYIM-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.79
Rot. Bonds2

About 1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 168820442) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID168820442
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCC(C)(C)N1CC(NCC(F)(F)F)CC1(C)C
InChIInChI=1S/C12H23F3N2/c1-10(2,3)17-7-9(6-11(17,4)5)16-8-12(13,14)15/h9,16H,6-8H2,1-5H3
InChIKeyWRONKJQDSUNYIM-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of 1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 168820442) is 1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is CC(C)(C)N1CC(NCC(F)(F)F)CC1(C)C.
What is the InChIKey of 1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is WRONKJQDSUNYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-10(2,3)17-7-9(6-11(17,4)5)16-8-12(13,14)15/h9,16H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 252.32 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 168820442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).