3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane

C15H29NO4 — CID 102930291

IUPAC3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC(CCOC1COC2(CCNCC2)C1)OCC
InChIInChI=1S/C15H29NO4/c1-3-17-14(18-4-2)5-10-19-13-11-15(20-12-13)6-8-16-9-7-15/h13-14,16H,3-12H2,1-2H3
InChIKeySGNLMUBLVDYCQN-UHFFFAOYSA-N
MW287.40 g/mol
LogP1.70
Rot. Bonds8

About 3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane

3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930291) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930291
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane
SMILESCCOC(CCOC1COC2(CCNCC2)C1)OCC
InChIInChI=1S/C15H29NO4/c1-3-17-14(18-4-2)5-10-19-13-11-15(20-12-13)6-8-16-9-7-15/h13-14,16H,3-12H2,1-2H3
InChIKeySGNLMUBLVDYCQN-UHFFFAOYSA-N
XLogP1.70
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-pent-3-ynoxy-1-oxa-8-azaspiro[4.5]decane
CID 102930141
3-(2-methylsulfonylethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930216
N,N-dimethyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930339
2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pentanoic acid
CID 106941098
3-[(4-ethylmorpholin-2-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930286
3-[(E)-2,3-dichloroprop-2-enoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930085
3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930394
N-tert-butyl-2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)acetamide
CID 102930376
3-[(4-methoxyphenyl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930200
1-oxa-8-azaspiro[4.5]decan-3-yl N-ethylcarbamate
CID 102930703
2-[1-(1-oxa-8-azaspiro[4.5]decan-3-yloxymethyl)cyclopropyl]acetonitrile
CID 102930322
(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97486843

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane (CID 102930291) is 3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane is CCOC(CCOC1COC2(CCNCC2)C1)OCC.
What is the InChIKey of 3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is SGNLMUBLVDYCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-3-17-14(18-4-2)5-10-19-13-11-15(20-12-13)6-8-16-9-7-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane?
3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 287.40 g/mol, XLogP of 1.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-diethoxypropoxy)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).