3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine

C18H34N2O — CID 64863091

IUPAC3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCCN2CCCCC2)C12CCCC2
InChIInChI=1S/C18H34N2O/c1-2-21-17-15-16(18(17)9-4-5-10-18)19-11-8-14-20-12-6-3-7-13-20/h16-17,19H,2-15H2,1H3
InChIKeyNPCMDWWIBIHODX-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.19
Rot. Bonds7

About 3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine

3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine (PubChem CID 64863091) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
PubChem CID64863091
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NCCCN2CCCCC2)C12CCCC2
InChIInChI=1S/C18H34N2O/c1-2-21-17-15-16(18(17)9-4-5-10-18)19-11-8-14-20-12-6-3-7-13-20/h16-17,19H,2-15H2,1H3
InChIKeyNPCMDWWIBIHODX-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine (CID 64863091) is 3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine is CCOC1CC(NCCCN2CCCCC2)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine?
The InChIKey is NPCMDWWIBIHODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-21-17-15-16(18(17)9-4-5-10-18)19-11-8-14-20-12-6-3-7-13-20/h16-17,19H,2-15H2,1H3.
What are the key properties of 3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine?
3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine has a molecular weight of 294.48 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine is sourced from PubChem (CID 64863091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).