3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]spiro[3.4]octan-1-amine

C19H29FN2O — CID 75449626

IUPAC3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(c2ccc(F)cn2)C(C)C)C12CCCC2
InChIInChI=1S/C19H29FN2O/c1-4-23-17-11-16(19(17)9-5-6-10-19)22-18(13(2)3)15-8-7-14(20)12-21-15/h7-8,12-13,16-18,22H,4-6,9-11H2,1-3H3
InChIKeyNIKGFOWOLQIATJ-UHFFFAOYSA-N
MW320.45 g/mol
LogP4.25
Rot. Bonds6

About 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]spiro[3.4]octan-1-amine

3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]spiro[3.4]octan-1-amine (PubChem CID 75449626) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]spiro[3.4]octan-1-amine
PubChem CID75449626
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(c2ccc(F)cn2)C(C)C)C12CCCC2
InChIInChI=1S/C19H29FN2O/c1-4-23-17-11-16(19(17)9-5-6-10-19)22-18(13(2)3)15-8-7-14(20)12-21-15/h7-8,12-13,16-18,22H,4-6,9-11H2,1-3H3
InChIKeyNIKGFOWOLQIATJ-UHFFFAOYSA-N
XLogP4.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 54.25
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)-2-methylpropyl]spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]spiro[3.4]octan-1-amine (CID 75449626) is 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]spiro[3.4]octan-1-amine is CCOC1CC(NC(c2ccc(F)cn2)C(C)C)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]spiro[3.4]octan-1-amine?
The InChIKey is NIKGFOWOLQIATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-4-23-17-11-16(19(17)9-5-6-10-19)22-18(13(2)3)15-8-7-14(20)12-21-15/h7-8,12-13,16-18,22H,4-6,9-11H2,1-3H3.
What are the key properties of 3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]spiro[3.4]octan-1-amine?
3-ethoxy-N-[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]spiro[3.4]octan-1-amine has a molecular weight of 320.45 g/mol, XLogP of 4.25, 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)-2-methylpropyl]spiro[3.4]octan-1-amine is sourced from PubChem (CID 75449626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).