3,5-dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

C14H27F3N2 — CID 64737216

IUPAC3,5-dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN(CC(F)(F)F)C(C)C)C(N)C1
InChIInChI=1S/C14H27F3N2/c1-9(2)19(8-14(15,16)17)7-12-11(4)5-10(3)6-13(12)18/h9-13H,5-8,18H2,1-4H3
InChIKeyIRZKSRSVCUTSHL-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.27
Rot. Bonds4

About 3,5-dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

3,5-dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 64737216) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
PubChem CID64737216
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name3,5-dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCC1CC(C)C(CN(CC(F)(F)F)C(C)C)C(N)C1
InChIInChI=1S/C14H27F3N2/c1-9(2)19(8-14(15,16)17)7-12-11(4)5-10(3)6-13(12)18/h9-13H,5-8,18H2,1-4H3
InChIKeyIRZKSRSVCUTSHL-UHFFFAOYSA-N
XLogP3.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.27
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-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (CID 64737216) is 3,5-dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is CC1CC(C)C(CN(CC(F)(F)F)C(C)C)C(N)C1.
What is the InChIKey of 3,5-dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is IRZKSRSVCUTSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-9(2)19(8-14(15,16)17)7-12-11(4)5-10(3)6-13(12)18/h9-13H,5-8,18H2,1-4H3.
What are the key properties of 3,5-dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
3,5-dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 64737216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).