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

C14H25F3N2O — CID 63739433

IUPACN-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCNCC1(CN(CC(F)(F)F)C2CC2)CCCOC1
InChIInChI=1S/C14H25F3N2O/c1-2-18-8-13(6-3-7-20-11-13)9-19(12-4-5-12)10-14(15,16)17/h12,18H,2-11H2,1H3
InChIKeySNZYNEYPVSKSCY-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.42
Rot. Bonds7

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

N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 63739433) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID63739433
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCCNCC1(CN(CC(F)(F)F)C2CC2)CCCOC1
InChIInChI=1S/C14H25F3N2O/c1-2-18-8-13(6-3-7-20-11-13)9-19(12-4-5-12)10-14(15,16)17/h12,18H,2-11H2,1H3
InChIKeySNZYNEYPVSKSCY-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-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 63739433) is N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CCNCC1(CN(CC(F)(F)F)C2CC2)CCCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is SNZYNEYPVSKSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-2-18-8-13(6-3-7-20-11-13)9-19(12-4-5-12)10-14(15,16)17/h12,18H,2-11H2,1H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)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-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 63739433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).