3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine

C16H25FN2O — CID 103948410

IUPAC3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NC(CC)c2ccc(F)cn2)C1(C)C
InChIInChI=1S/C16H25FN2O/c1-5-12(13-8-7-11(17)10-18-13)19-14-9-15(20-6-2)16(14,3)4/h7-8,10,12,14-15,19H,5-6,9H2,1-4H3
InChIKeyUIBGESVNRFZWQI-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.46
Rot. Bonds6

About 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine

3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 103948410) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID103948410
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine
SMILESCCOC1CC(NC(CC)c2ccc(F)cn2)C1(C)C
InChIInChI=1S/C16H25FN2O/c1-5-12(13-8-7-11(17)10-18-13)19-14-9-15(20-6-2)16(14,3)4/h7-8,10,12,14-15,19H,5-6,9H2,1-4H3
InChIKeyUIBGESVNRFZWQI-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine (CID 103948410) is 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine is CCOC1CC(NC(CC)c2ccc(F)cn2)C1(C)C.
What is the InChIKey of 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is UIBGESVNRFZWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-5-12(13-8-7-11(17)10-18-13)19-14-9-15(20-6-2)16(14,3)4/h7-8,10,12,14-15,19H,5-6,9H2,1-4H3.
What are the key properties of 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine?
3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 280.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)propyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 103948410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).