(3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine

C13H24F3N3 — CID 126708796

IUPAC(3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine
SMILESCN1CC[C@@H](N(C)CCN2CCC[C@H]2C(F)(F)F)C1
InChIInChI=1S/C13H24F3N3/c1-17-7-5-11(10-17)18(2)8-9-19-6-3-4-12(19)13(14,15)16/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyWKSZOKUXBDGLBT-NEPJUHHUSA-N
MW279.35 g/mol
LogP1.65
Rot. Bonds4

About (3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine

(3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine (PubChem CID 126708796) has the molecular formula C13H24F3N3 and a molecular weight of 279.35 g/mol. Its IUPAC name is (3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine
PubChem CID126708796
Molecular FormulaC13H24F3N3
Molecular Weight279.35 g/mol
Exact Mass279.19
IUPAC Name(3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine
SMILESCN1CC[C@@H](N(C)CCN2CCC[C@H]2C(F)(F)F)C1
InChIInChI=1S/C13H24F3N3/c1-17-7-5-11(10-17)18(2)8-9-19-6-3-4-12(19)13(14,15)16/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyWKSZOKUXBDGLBT-NEPJUHHUSA-N
XLogP1.65
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine (CID 126708796) is (3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine is CN1CC[C@@H](N(C)CCN2CCC[C@H]2C(F)(F)F)C1.
What is the InChIKey of (3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine?
The InChIKey is WKSZOKUXBDGLBT-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H24F3N3/c1-17-7-5-11(10-17)18(2)8-9-19-6-3-4-12(19)13(14,15)16/h11-12H,3-10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine?
(3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine has a molecular weight of 279.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,1-dimethyl-N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 126708796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).