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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Related Compounds

CID 156735032
CID 156735032
CID 156735063
CID 156735063
CID 167012441
CID 167012441
CID 54905601
CID 54905601
CID 55106797
CID 55106797
CID 55107092
CID 55107092
CID 55228538
CID 55228538
CID 55241276
CID 55241276
CID 55242045
CID 55242045
CID 55242046
CID 55242046
CID 62390619
CID 62390619
CID 62390620
CID 62390620

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).