(5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

C13H25F3N2 — CID 146518654

IUPAC(5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCC(C)[C@@H]1CC(N(C)CC(F)(F)F)CN1C(C)C
InChIInChI=1S/C13H25F3N2/c1-9(2)12-6-11(7-18(12)10(3)4)17(5)8-13(14,15)16/h9-12H,6-8H2,1-5H3/t11?,12-/m0/s1
InChIKeyKBHPNEOETRNIMP-KIYNQFGBSA-N
MW266.35 g/mol
LogP2.99
Rot. Bonds4

About (5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine

(5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (PubChem CID 146518654) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is (5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
PubChem CID146518654
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name(5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
SMILESCC(C)[C@@H]1CC(N(C)CC(F)(F)F)CN1C(C)C
InChIInChI=1S/C13H25F3N2/c1-9(2)12-6-11(7-18(12)10(3)4)17(5)8-13(14,15)16/h9-12H,6-8H2,1-5H3/t11?,12-/m0/s1
InChIKeyKBHPNEOETRNIMP-KIYNQFGBSA-N
XLogP2.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The IUPAC name of (5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine (CID 146518654) is (5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine.
What is the SMILES notation for (5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The canonical SMILES for (5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is CC(C)[C@@H]1CC(N(C)CC(F)(F)F)CN1C(C)C.
What is the InChIKey of (5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
The InChIKey is KBHPNEOETRNIMP-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-9(2)12-6-11(7-18(12)10(3)4)17(5)8-13(14,15)16/h9-12H,6-8H2,1-5H3/t11?,12-/m0/s1.
What are the key properties of (5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine?
(5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine has a molecular weight of 266.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-methyl-1,5-di(propan-2-yl)-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine is sourced from PubChem (CID 146518654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).