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

C12H21F3N2O — CID 63739434

IUPACN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESNCC1(CN(CC(F)(F)F)C2CC2)CCCOC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)8-17(10-2-3-10)7-11(6-16)4-1-5-18-9-11/h10H,1-9,16H2
InChIKeyCDKHUZBFCODMQU-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.77
Rot. Bonds5

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

N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 63739434) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID63739434
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESNCC1(CN(CC(F)(F)F)C2CC2)CCCOC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)8-17(10-2-3-10)7-11(6-16)4-1-5-18-9-11/h10H,1-9,16H2
InChIKeyCDKHUZBFCODMQU-UHFFFAOYSA-N
XLogP1.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 63739434) is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is NCC1(CN(CC(F)(F)F)C2CC2)CCCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is CDKHUZBFCODMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)8-17(10-2-3-10)7-11(6-16)4-1-5-18-9-11/h10H,1-9,16H2.
What are the key properties of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 266.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 63739434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).