N-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine

C12H23FN2O — CID 59603506

IUPACN-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine
SMILESCC(C)CN1CC(F)(CN(C)C2COC2)C1
InChIInChI=1S/C12H23FN2O/c1-10(2)4-15-8-12(13,9-15)7-14(3)11-5-16-6-11/h10-11H,4-9H2,1-3H3
InChIKeyLVRWMXNMMGPMIY-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.00
Rot. Bonds5

About N-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine

N-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine (PubChem CID 59603506) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is N-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine.

Molecular Properties

Compound NameN-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine
PubChem CID59603506
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC NameN-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine
SMILESCC(C)CN1CC(F)(CN(C)C2COC2)C1
InChIInChI=1S/C12H23FN2O/c1-10(2)4-15-8-12(13,9-15)7-14(3)11-5-16-6-11/h10-11H,4-9H2,1-3H3
InChIKeyLVRWMXNMMGPMIY-UHFFFAOYSA-N
XLogP1.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine?
The IUPAC name of N-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine (CID 59603506) is N-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine.
What is the SMILES notation for N-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine?
The canonical SMILES for N-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine is CC(C)CN1CC(F)(CN(C)C2COC2)C1.
What is the InChIKey of N-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine?
The InChIKey is LVRWMXNMMGPMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O/c1-10(2)4-15-8-12(13,9-15)7-14(3)11-5-16-6-11/h10-11H,4-9H2,1-3H3.
What are the key properties of N-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine?
N-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine has a molecular weight of 230.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-1-(2-methylpropyl)azetidin-3-yl]methyl]-N-methyloxetan-3-amine is sourced from PubChem (CID 59603506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).