3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine

C17H26N2O — CID 114699252

IUPAC3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCc2ccncc2C)C12CCCC2
InChIInChI=1S/C17H26N2O/c1-3-20-16-10-15(17(16)7-4-5-8-17)19-12-14-6-9-18-11-13(14)2/h6,9,11,15-16,19H,3-5,7-8,10,12H2,1-2H3
InChIKeyWPBFECBWTGMBSF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.22
Rot. Bonds5

About 3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine

3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine (PubChem CID 114699252) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine
PubChem CID114699252
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCc2ccncc2C)C12CCCC2
InChIInChI=1S/C17H26N2O/c1-3-20-16-10-15(17(16)7-4-5-8-17)19-12-14-6-9-18-11-13(14)2/h6,9,11,15-16,19H,3-5,7-8,10,12H2,1-2H3
InChIKeyWPBFECBWTGMBSF-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.22
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-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine (CID 114699252) is 3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine is CCOC1CC(NCc2ccncc2C)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine?
The InChIKey is WPBFECBWTGMBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-20-16-10-15(17(16)7-4-5-8-17)19-12-14-6-9-18-11-13(14)2/h6,9,11,15-16,19H,3-5,7-8,10,12H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine?
3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine is sourced from PubChem (CID 114699252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).