N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine

C12H21F3N2O — CID 62256695

IUPACN-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCN(CC(F)(F)F)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C12H21F3N2O/c1-17(8-12(13,14)15)7-11(4-5-18-9-11)6-16-10-2-3-10/h10,16H,2-9H2,1H3
InChIKeyPBFFCJVCGUCKSB-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.64
Rot. Bonds6

About N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine

N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62256695) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62256695
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCN(CC(F)(F)F)CC1(CNC2CC2)CCOC1
InChIInChI=1S/C12H21F3N2O/c1-17(8-12(13,14)15)7-11(4-5-18-9-11)6-16-10-2-3-10/h10,16H,2-9H2,1H3
InChIKeyPBFFCJVCGUCKSB-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62256695) is N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is CN(CC(F)(F)F)CC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is PBFFCJVCGUCKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-17(8-12(13,14)15)7-11(4-5-18-9-11)6-16-10-2-3-10/h10,16H,2-9H2,1H3.
What are the key properties of N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 266.31 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62256695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).