4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine

C13H23F3N2 — CID 114271796

IUPAC4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(N2CCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H23F3N2/c1-2-9-3-4-11(17)12(7-9)18-6-5-10(8-18)13(14,15)16/h9-12H,2-8,17H2,1H3
InChIKeyPCZHYGRWFYRKEN-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.78
Rot. Bonds2

About 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine

4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine (PubChem CID 114271796) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine
PubChem CID114271796
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine
SMILESCCC1CCC(N)C(N2CCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H23F3N2/c1-2-9-3-4-11(17)12(7-9)18-6-5-10(8-18)13(14,15)16/h9-12H,2-8,17H2,1H3
InChIKeyPCZHYGRWFYRKEN-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine (CID 114271796) is 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine is CCC1CCC(N)C(N2CCC(C(F)(F)F)C2)C1.
What is the InChIKey of 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine?
The InChIKey is PCZHYGRWFYRKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-2-9-3-4-11(17)12(7-9)18-6-5-10(8-18)13(14,15)16/h9-12H,2-8,17H2,1H3.
What are the key properties of 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine?
4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine has a molecular weight of 264.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 114271796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).