N-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine

C10H19FN2O — CID 69087813

IUPACN-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine
SMILESCCN1CC(F)(CN(C)C2COC2)C1
InChIInChI=1S/C10H19FN2O/c1-3-13-7-10(11,8-13)6-12(2)9-4-14-5-9/h9H,3-8H2,1-2H3
InChIKeyZYSUHPWVMNERGX-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.36
Rot. Bonds4

About N-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine

N-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine (PubChem CID 69087813) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is N-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine
PubChem CID69087813
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC NameN-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine
SMILESCCN1CC(F)(CN(C)C2COC2)C1
InChIInChI=1S/C10H19FN2O/c1-3-13-7-10(11,8-13)6-12(2)9-4-14-5-9/h9H,3-8H2,1-2H3
InChIKeyZYSUHPWVMNERGX-UHFFFAOYSA-N
XLogP0.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine?
The IUPAC name of N-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine (CID 69087813) is N-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine.
What is the SMILES notation for N-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine?
The canonical SMILES for N-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine is CCN1CC(F)(CN(C)C2COC2)C1.
What is the InChIKey of N-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine?
The InChIKey is ZYSUHPWVMNERGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-3-13-7-10(11,8-13)6-12(2)9-4-14-5-9/h9H,3-8H2,1-2H3.
What are the key properties of N-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine?
N-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine has a molecular weight of 202.27 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-fluoroazetidin-3-yl)methyl]-N-methyloxetan-3-amine is sourced from PubChem (CID 69087813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).