N-[(3-fluoro-1-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine

C11H21FN2O — CID 91013488

IUPACN-[(3-fluoro-1-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine
SMILESCCCN1CC(F)(CN(C)C2COC2)C1
InChIInChI=1S/C11H21FN2O/c1-3-4-14-8-11(12,9-14)7-13(2)10-5-15-6-10/h10H,3-9H2,1-2H3
InChIKeyMZXVIWNHDDKPRK-UHFFFAOYSA-N
MW216.30 g/mol
LogP0.75
Rot. Bonds5

About N-[(3-fluoro-1-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine

N-[(3-fluoro-1-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine (PubChem CID 91013488) has the molecular formula C11H21FN2O and a molecular weight of 216.30 g/mol. Its IUPAC name is N-[(3-fluoro-1-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine.

Molecular Properties

Compound NameN-[(3-fluoro-1-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine
PubChem CID91013488
Molecular FormulaC11H21FN2O
Molecular Weight216.30 g/mol
Exact Mass216.16
IUPAC NameN-[(3-fluoro-1-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine
SMILESCCCN1CC(F)(CN(C)C2COC2)C1
InChIInChI=1S/C11H21FN2O/c1-3-4-14-8-11(12,9-14)7-13(2)10-5-15-6-10/h10H,3-9H2,1-2H3
InChIKeyMZXVIWNHDDKPRK-UHFFFAOYSA-N
XLogP0.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 50.75
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-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine?
The IUPAC name of N-[(3-fluoro-1-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine (CID 91013488) is N-[(3-fluoro-1-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine.
What is the SMILES notation for N-[(3-fluoro-1-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine?
The canonical SMILES for N-[(3-fluoro-1-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine is CCCN1CC(F)(CN(C)C2COC2)C1.
What is the InChIKey of N-[(3-fluoro-1-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine?
The InChIKey is MZXVIWNHDDKPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O/c1-3-4-14-8-11(12,9-14)7-13(2)10-5-15-6-10/h10H,3-9H2,1-2H3.
What are the key properties of N-[(3-fluoro-1-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine?
N-[(3-fluoro-1-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine has a molecular weight of 216.30 g/mol, XLogP of 0.75, 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-propylazetidin-3-yl)methyl]-N-methyloxetan-3-amine is sourced from PubChem (CID 91013488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).