N,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine

C15H27F3N2O — CID 129381550

IUPACN,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine
SMILESCN(C)C1(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C15H27F3N2O/c1-20(2)14(6-8-21-9-7-14)11-19-13-5-3-4-12(10-13)15(16,17)18/h12-13,19H,3-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyIPHWBHREAUEDSE-OLZOCXBDSA-N
MW308.39 g/mol
LogP2.81
Rot. Bonds4

About N,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine

N,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine (PubChem CID 129381550) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine
PubChem CID129381550
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine
SMILESCN(C)C1(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C15H27F3N2O/c1-20(2)14(6-8-21-9-7-14)11-19-13-5-3-4-12(10-13)15(16,17)18/h12-13,19H,3-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyIPHWBHREAUEDSE-OLZOCXBDSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine?
The IUPAC name of N,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine (CID 129381550) is N,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine.
What is the SMILES notation for N,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine?
The canonical SMILES for N,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine is CN(C)C1(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)CCOCC1.
What is the InChIKey of N,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine?
The InChIKey is IPHWBHREAUEDSE-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-20(2)14(6-8-21-9-7-14)11-19-13-5-3-4-12(10-13)15(16,17)18/h12-13,19H,3-11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of N,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine?
N,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine has a molecular weight of 308.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]methyl]oxan-4-amine is sourced from PubChem (CID 129381550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).