3-ethoxy-N-methylspiro[3.5]nonan-1-amine

C12H23NO — CID 54595228

IUPAC3-ethoxy-N-methylspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC)C12CCCCC2
InChIInChI=1S/C12H23NO/c1-3-14-11-9-10(13-2)12(11)7-5-4-6-8-12/h10-11,13H,3-9H2,1-2H3
InChIKeyNXIYSFLIKCOGGU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds3

About 3-ethoxy-N-methylspiro[3.5]nonan-1-amine

3-ethoxy-N-methylspiro[3.5]nonan-1-amine (PubChem CID 54595228) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-ethoxy-N-methylspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-methylspiro[3.5]nonan-1-amine
PubChem CID54595228
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-ethoxy-N-methylspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC)C12CCCCC2
InChIInChI=1S/C12H23NO/c1-3-14-11-9-10(13-2)12(11)7-5-4-6-8-12/h10-11,13H,3-9H2,1-2H3
InChIKeyNXIYSFLIKCOGGU-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethoxy-N-methylspiro[3.5]nonan-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-methylspiro[3.5]nonan-1-amine?
The IUPAC name of 3-ethoxy-N-methylspiro[3.5]nonan-1-amine (CID 54595228) is 3-ethoxy-N-methylspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-ethoxy-N-methylspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-ethoxy-N-methylspiro[3.5]nonan-1-amine is CCOC1CC(NC)C12CCCCC2.
What is the InChIKey of 3-ethoxy-N-methylspiro[3.5]nonan-1-amine?
The InChIKey is NXIYSFLIKCOGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-14-11-9-10(13-2)12(11)7-5-4-6-8-12/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 3-ethoxy-N-methylspiro[3.5]nonan-1-amine?
3-ethoxy-N-methylspiro[3.5]nonan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methylspiro[3.5]nonan-1-amine is sourced from PubChem (CID 54595228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).