N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C12H21F3N2O — CID 62426281

IUPACN-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCNCC1CCC(CN(CC(F)(F)F)C2CC2)O1
InChIInChI=1S/C12H21F3N2O/c1-16-6-10-4-5-11(18-10)7-17(9-2-3-9)8-12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyPZVUWHFPZAEVFB-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.78
Rot. Bonds6

About N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 62426281) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID62426281
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCNCC1CCC(CN(CC(F)(F)F)C2CC2)O1
InChIInChI=1S/C12H21F3N2O/c1-16-6-10-4-5-11(18-10)7-17(9-2-3-9)8-12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyPZVUWHFPZAEVFB-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 62426281) is N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CNCC1CCC(CN(CC(F)(F)F)C2CC2)O1.
What is the InChIKey of N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is PZVUWHFPZAEVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-16-6-10-4-5-11(18-10)7-17(9-2-3-9)8-12(13,14)15/h9-11,16H,2-8H2,1H3.
What are the key properties of N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 266.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 62426281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).