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

C14H25F3N2O — CID 62391147

IUPACN-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCCN(CC(F)(F)F)CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C14H25F3N2O/c1-2-19(11-14(15,16)17)10-13(5-7-20-8-6-13)9-18-12-3-4-12/h12,18H,2-11H2,1H3
InChIKeyJTHZJFNFGHHGLN-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.42
Rot. Bonds7

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

N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine (PubChem CID 62391147) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
PubChem CID62391147
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine
SMILESCCN(CC(F)(F)F)CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C14H25F3N2O/c1-2-19(11-14(15,16)17)10-13(5-7-20-8-6-13)9-18-12-3-4-12/h12,18H,2-11H2,1H3
InChIKeyJTHZJFNFGHHGLN-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine (CID 62391147) is N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine is CCN(CC(F)(F)F)CC1(CNC2CC2)CCOCC1.
What is the InChIKey of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
The InChIKey is JTHZJFNFGHHGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-2-19(11-14(15,16)17)10-13(5-7-20-8-6-13)9-18-12-3-4-12/h12,18H,2-11H2,1H3.
What are the key properties of N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine?
N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine has a molecular weight of 294.36 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxan-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62391147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).