3-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine

C15H27NO2 — CID 66349831

IUPAC3-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine
SMILESCCCNC1CC(OC2CCOC2)C12CCCC2
InChIInChI=1S/C15H27NO2/c1-2-8-16-13-10-14(15(13)6-3-4-7-15)18-12-5-9-17-11-12/h12-14,16H,2-11H2,1H3
InChIKeyYZMGSKVESQQUGZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.49
Rot. Bonds5

About 3-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine

3-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine (PubChem CID 66349831) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine
PubChem CID66349831
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine
SMILESCCCNC1CC(OC2CCOC2)C12CCCC2
InChIInChI=1S/C15H27NO2/c1-2-8-16-13-10-14(15(13)6-3-4-7-15)18-12-5-9-17-11-12/h12-14,16H,2-11H2,1H3
InChIKeyYZMGSKVESQQUGZ-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(oxolan-3-yloxy)-N-propylspiro[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-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine?
The IUPAC name of 3-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine (CID 66349831) is 3-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine?
The canonical SMILES for 3-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine is CCCNC1CC(OC2CCOC2)C12CCCC2.
What is the InChIKey of 3-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine?
The InChIKey is YZMGSKVESQQUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-8-16-13-10-14(15(13)6-3-4-7-15)18-12-5-9-17-11-12/h12-14,16H,2-11H2,1H3.
What are the key properties of 3-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine?
3-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yloxy)-N-propylspiro[3.4]octan-1-amine is sourced from PubChem (CID 66349831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).