3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine

C15H29F3N2 — CID 64737214

IUPAC3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1CN(C)CC(F)(F)F
InChIInChI=1S/C15H29F3N2/c1-5-6-19-14-8-11(2)7-12(3)13(14)9-20(4)10-15(16,17)18/h11-14,19H,5-10H2,1-4H3
InChIKeyCVSYLLHRJXUHOS-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.53
Rot. Bonds6

About 3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine

3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine (PubChem CID 64737214) has the molecular formula C15H29F3N2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine
PubChem CID64737214
Molecular FormulaC15H29F3N2
Molecular Weight294.40 g/mol
Exact Mass294.23
IUPAC Name3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1CN(C)CC(F)(F)F
InChIInChI=1S/C15H29F3N2/c1-5-6-19-14-8-11(2)7-12(3)13(14)9-20(4)10-15(16,17)18/h11-14,19H,5-10H2,1-4H3
InChIKeyCVSYLLHRJXUHOS-UHFFFAOYSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine (CID 64737214) is 3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1CN(C)CC(F)(F)F.
What is the InChIKey of 3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is CVSYLLHRJXUHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-5-6-19-14-8-11(2)7-12(3)13(14)9-20(4)10-15(16,17)18/h11-14,19H,5-10H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine?
3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 294.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64737214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).