5-(3-methoxypropyl)-5-azaspiro[2.4]heptane

C10H19NO — CID 129270201

IUPAC5-(3-methoxypropyl)-5-azaspiro[2.4]heptane
SMILESCOCCCN1CCC2(CC2)C1
InChIInChI=1S/C10H19NO/c1-12-8-2-6-11-7-5-10(9-11)3-4-10/h2-9H2,1H3
InChIKeyPQYKUGIPNRDFEN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds4

About 5-(3-methoxypropyl)-5-azaspiro[2.4]heptane

5-(3-methoxypropyl)-5-azaspiro[2.4]heptane (PubChem CID 129270201) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-(3-methoxypropyl)-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name5-(3-methoxypropyl)-5-azaspiro[2.4]heptane
PubChem CID129270201
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-(3-methoxypropyl)-5-azaspiro[2.4]heptane
SMILESCOCCCN1CCC2(CC2)C1
InChIInChI=1S/C10H19NO/c1-12-8-2-6-11-7-5-10(9-11)3-4-10/h2-9H2,1H3
InChIKeyPQYKUGIPNRDFEN-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-propylpyrrolidine
CID 172350449
2,2-Difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane
CID 174182376
3-(1,1-Difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane
CID 176568658
2,2-Difluoro-5-methyl-5-azaspiro[2.4]heptane;methoxyethane
CID 177009759
2,2-Difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;ethane
CID 177010009
2,2-Difluoro-5-[[1-(methoxymethyl)cyclopropyl]methyl]-5-azaspiro[2.4]heptane;methane
CID 177010086
3-(1-Fluoropropan-2-yl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 177010147
2,2-Difluoro-5-methyl-5-azaspiro[2.4]heptane;ethane;methoxyethane
CID 177010249
3-(1,1-Difluoroethyl)-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 176568659
3-(5-Azaspiro[2.4]heptan-5-yl)propan-1-ol
CID 16736944
5-Ethyl-7-methoxy-5-azaspiro[2.4]heptane
CID 59200729
7-Methoxy-5-(2-methylbutyl)-5-azaspiro[2.4]heptane
CID 59491036

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropyl)-5-azaspiro[2.4]heptane?
The IUPAC name of 5-(3-methoxypropyl)-5-azaspiro[2.4]heptane (CID 129270201) is 5-(3-methoxypropyl)-5-azaspiro[2.4]heptane.
What is the SMILES notation for 5-(3-methoxypropyl)-5-azaspiro[2.4]heptane?
The canonical SMILES for 5-(3-methoxypropyl)-5-azaspiro[2.4]heptane is COCCCN1CCC2(CC2)C1.
What is the InChIKey of 5-(3-methoxypropyl)-5-azaspiro[2.4]heptane?
The InChIKey is PQYKUGIPNRDFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-12-8-2-6-11-7-5-10(9-11)3-4-10/h2-9H2,1H3.
What are the key properties of 5-(3-methoxypropyl)-5-azaspiro[2.4]heptane?
5-(3-methoxypropyl)-5-azaspiro[2.4]heptane has a molecular weight of 169.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropyl)-5-azaspiro[2.4]heptane is sourced from PubChem (CID 129270201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).