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

C13H23F3N2O — CID 62391670

IUPACN-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCNCC1(CN(CC(F)(F)F)C2CC2)CCOCC1
InChIInChI=1S/C13H23F3N2O/c1-17-8-12(4-6-19-7-5-12)9-18(11-2-3-11)10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyJNYPXDXQIGTNSO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.03
Rot. Bonds6

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

N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 62391670) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID62391670
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCNCC1(CN(CC(F)(F)F)C2CC2)CCOCC1
InChIInChI=1S/C13H23F3N2O/c1-17-8-12(4-6-19-7-5-12)9-18(11-2-3-11)10-13(14,15)16/h11,17H,2-10H2,1H3
InChIKeyJNYPXDXQIGTNSO-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 55056037
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
N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 62390619
N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 62390620
N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62390621
N-[[4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62390794
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 62390795
N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 62390796
N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 62390964
N-ethyl-N-[[4-(ethylaminomethyl)oxan-4-yl]methyl]-2,2,2-trifluoroethanamine
CID 62390969

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 62391670) is N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CNCC1(CN(CC(F)(F)F)C2CC2)CCOCC1.
What is the InChIKey of N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is JNYPXDXQIGTNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-17-8-12(4-6-19-7-5-12)9-18(11-2-3-11)10-13(14,15)16/h11,17H,2-10H2,1H3.
What are the key properties of N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 280.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylaminomethyl)oxan-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 62391670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).