N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine

C15H27F3N2O — CID 62392372

IUPACN-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCCCN(CC(F)(F)F)CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C15H27F3N2O/c1-2-7-20(12-15(16,17)18)11-14(5-8-21-9-6-14)10-19-13-3-4-13/h13,19H,2-12H2,1H3
InChIKeyOXZQTVIWXNCVCD-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.81
Rot. Bonds8

About N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine

N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62392372) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62392372
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCCCN(CC(F)(F)F)CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C15H27F3N2O/c1-2-7-20(12-15(16,17)18)11-14(5-8-21-9-6-14)10-19-13-3-4-13/h13,19H,2-12H2,1H3
InChIKeyOXZQTVIWXNCVCD-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 66204343
(1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 146615373
N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615375
N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615508
N-[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146626775
N-[[4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066332
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 55066527
N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55066529
2-N-methyl-2-N-(oxan-4-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55228385
N-[[3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62255857
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62256048
N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62256219

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62392372) is N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine is CCCN(CC(F)(F)F)CC1(CNC2CC2)CCOCC1.
What is the InChIKey of N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is OXZQTVIWXNCVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-2-7-20(12-15(16,17)18)11-14(5-8-21-9-6-14)10-19-13-3-4-13/h13,19H,2-12H2,1H3.
What are the key properties of N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 308.39 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62392372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).