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

C12H17FN2O — CID 126790290

IUPACN-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine
SMILESCC1(C)OCCC1NCc1ccncc1F
InChIInChI=1S/C12H17FN2O/c1-12(2)11(4-6-16-12)15-7-9-3-5-14-8-10(9)13/h3,5,8,11,15H,4,6-7H2,1-2H3
InChIKeyYESPVBUSVVAYNK-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.88
Rot. Bonds3

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

N-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine (PubChem CID 126790290) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine
PubChem CID126790290
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine
SMILESCC1(C)OCCC1NCc1ccncc1F
InChIInChI=1S/C12H17FN2O/c1-12(2)11(4-6-16-12)15-7-9-3-5-14-8-10(9)13/h3,5,8,11,15H,4,6-7H2,1-2H3
InChIKeyYESPVBUSVVAYNK-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine (CID 126790290) is N-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine is CC1(C)OCCC1NCc1ccncc1F.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine?
The InChIKey is YESPVBUSVVAYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-12(2)11(4-6-16-12)15-7-9-3-5-14-8-10(9)13/h3,5,8,11,15H,4,6-7H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine?
N-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine has a molecular weight of 224.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridinyl)methyl]-2,2-dimethyloxolan-3-amine is sourced from PubChem (CID 126790290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).