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

C13H23NO2 — CID 66350269

IUPACN-methyl-3-(oxolan-3-yloxy)spiro[3.4]octan-1-amine
SMILESCNC1CC(OC2CCOC2)C12CCCC2
InChIInChI=1S/C13H23NO2/c1-14-11-8-12(13(11)5-2-3-6-13)16-10-4-7-15-9-10/h10-12,14H,2-9H2,1H3
InChIKeyUUNKKTFSIJCKIL-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.71
Rot. Bonds3

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

N-methyl-3-(oxolan-3-yloxy)spiro[3.4]octan-1-amine (PubChem CID 66350269) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-methyl-3-(oxolan-3-yloxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(oxolan-3-yloxy)spiro[3.4]octan-1-amine
PubChem CID66350269
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-methyl-3-(oxolan-3-yloxy)spiro[3.4]octan-1-amine
SMILESCNC1CC(OC2CCOC2)C12CCCC2
InChIInChI=1S/C13H23NO2/c1-14-11-8-12(13(11)5-2-3-6-13)16-10-4-7-15-9-10/h10-12,14H,2-9H2,1H3
InChIKeyUUNKKTFSIJCKIL-UHFFFAOYSA-N
XLogP1.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxolan-3-yloxy)spiro[3.4]octan-1-amine?
The IUPAC name of N-methyl-3-(oxolan-3-yloxy)spiro[3.4]octan-1-amine (CID 66350269) is N-methyl-3-(oxolan-3-yloxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for N-methyl-3-(oxolan-3-yloxy)spiro[3.4]octan-1-amine?
The canonical SMILES for N-methyl-3-(oxolan-3-yloxy)spiro[3.4]octan-1-amine is CNC1CC(OC2CCOC2)C12CCCC2.
What is the InChIKey of N-methyl-3-(oxolan-3-yloxy)spiro[3.4]octan-1-amine?
The InChIKey is UUNKKTFSIJCKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14-11-8-12(13(11)5-2-3-6-13)16-10-4-7-15-9-10/h10-12,14H,2-9H2,1H3.
What are the key properties of N-methyl-3-(oxolan-3-yloxy)spiro[3.4]octan-1-amine?
N-methyl-3-(oxolan-3-yloxy)spiro[3.4]octan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxolan-3-yloxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 66350269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).