3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine

C18H28N2O — CID 82732874

IUPAC3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCc2ncccc2CC)C12CCCC2
InChIInChI=1S/C18H28N2O/c1-3-14-8-7-11-19-15(14)13-20-16-12-17(21-4-2)18(16)9-5-6-10-18/h7-8,11,16-17,20H,3-6,9-10,12-13H2,1-2H3
InChIKeyXDTJUUSFOAILJE-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.47
Rot. Bonds6

About 3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine

3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine (PubChem CID 82732874) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine
PubChem CID82732874
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCc2ncccc2CC)C12CCCC2
InChIInChI=1S/C18H28N2O/c1-3-14-8-7-11-19-15(14)13-20-16-12-17(21-4-2)18(16)9-5-6-10-18/h7-8,11,16-17,20H,3-6,9-10,12-13H2,1-2H3
InChIKeyXDTJUUSFOAILJE-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine (CID 82732874) is 3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine is CCOC1CC(NCc2ncccc2CC)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine?
The InChIKey is XDTJUUSFOAILJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-14-8-7-11-19-15(14)13-20-16-12-17(21-4-2)18(16)9-5-6-10-18/h7-8,11,16-17,20H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine?
3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine has a molecular weight of 288.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine is sourced from PubChem (CID 82732874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).