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

C11H19F3N2O — CID 55055990

IUPACN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESNCC1(CN(CC(F)(F)F)C2CC2)CCOC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)7-16(9-1-2-9)6-10(5-15)3-4-17-8-10/h9H,1-8,15H2
InChIKeyNVUXAHKUAPIAJM-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.38
Rot. Bonds5

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

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 55055990) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID55055990
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESNCC1(CN(CC(F)(F)F)C2CC2)CCOC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)7-16(9-1-2-9)6-10(5-15)3-4-17-8-10/h9H,1-8,15H2
InChIKeyNVUXAHKUAPIAJM-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 55055990) is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is NCC1(CN(CC(F)(F)F)C2CC2)CCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is NVUXAHKUAPIAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)7-16(9-1-2-9)6-10(5-15)3-4-17-8-10/h9H,1-8,15H2.
What are the key properties of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 252.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 55055990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).