1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C9H17F3N2 — CID 166869728

IUPAC1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCN1CC(NCC(F)(F)F)CC1(C)C
InChIInChI=1S/C9H17F3N2/c1-8(2)4-7(5-14(8)3)13-6-9(10,11)12/h7,13H,4-6H2,1-3H3
InChIKeyFGPTYBDMEMAOSQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.62
Rot. Bonds2

About 1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 166869728) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID166869728
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC Name1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCN1CC(NCC(F)(F)F)CC1(C)C
InChIInChI=1S/C9H17F3N2/c1-8(2)4-7(5-14(8)3)13-6-9(10,11)12/h7,13H,4-6H2,1-3H3
InChIKeyFGPTYBDMEMAOSQ-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of 1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 166869728) is 1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for 1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is CN1CC(NCC(F)(F)F)CC1(C)C.
What is the InChIKey of 1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is FGPTYBDMEMAOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-8(2)4-7(5-14(8)3)13-6-9(10,11)12/h7,13H,4-6H2,1-3H3.
What are the key properties of 1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 210.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 166869728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).