3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine

C15H27F3N2 — CID 64745418

IUPAC3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
SMILESCC1CCC(NCC2CCN(CC(F)(F)F)C2)CC1C
InChIInChI=1S/C15H27F3N2/c1-11-3-4-14(7-12(11)2)19-8-13-5-6-20(9-13)10-15(16,17)18/h11-14,19H,3-10H2,1-2H3
InChIKeyIOFGHLSRPWKFGJ-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.28
Rot. Bonds4

About 3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine

3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine (PubChem CID 64745418) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
PubChem CID64745418
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine
SMILESCC1CCC(NCC2CCN(CC(F)(F)F)C2)CC1C
InChIInChI=1S/C15H27F3N2/c1-11-3-4-14(7-12(11)2)19-8-13-5-6-20(9-13)10-15(16,17)18/h11-14,19H,3-10H2,1-2H3
InChIKeyIOFGHLSRPWKFGJ-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine (CID 64745418) is 3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine is CC1CCC(NCC2CCN(CC(F)(F)F)C2)CC1C.
What is the InChIKey of 3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
The InChIKey is IOFGHLSRPWKFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-11-3-4-14(7-12(11)2)19-8-13-5-6-20(9-13)10-15(16,17)18/h11-14,19H,3-10H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine?
3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 64745418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).