N-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine

C12H17FN2O — CID 126793787

IUPACN-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine
SMILESCC1(C)COCC1NCc1ccc(F)cn1
InChIInChI=1S/C12H17FN2O/c1-12(2)8-16-7-11(12)15-6-10-4-3-9(13)5-14-10/h3-5,11,15H,6-8H2,1-2H3
InChIKeyQHCSREWYYUBLJW-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.74
Rot. Bonds3

About N-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine

N-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine (PubChem CID 126793787) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine
PubChem CID126793787
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine
SMILESCC1(C)COCC1NCc1ccc(F)cn1
InChIInChI=1S/C12H17FN2O/c1-12(2)8-16-7-11(12)15-6-10-4-3-9(13)5-14-10/h3-5,11,15H,6-8H2,1-2H3
InChIKeyQHCSREWYYUBLJW-UHFFFAOYSA-N
XLogP1.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine?
The IUPAC name of N-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine (CID 126793787) is N-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine.
What is the SMILES notation for N-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine?
The canonical SMILES for N-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine is CC1(C)COCC1NCc1ccc(F)cn1.
What is the InChIKey of N-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine?
The InChIKey is QHCSREWYYUBLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-12(2)8-16-7-11(12)15-6-10-4-3-9(13)5-14-10/h3-5,11,15H,6-8H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine?
N-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine has a molecular weight of 224.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyridinyl)methyl]-4,4-dimethyloxolan-3-amine is sourced from PubChem (CID 126793787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).