7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine

C12H23NO4 — CID 54936727

IUPAC7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCOCCCOC1CC2(CCC1N)OCCO2
InChIInChI=1S/C12H23NO4/c1-14-5-2-6-15-11-9-12(4-3-10(11)13)16-7-8-17-12/h10-11H,2-9,13H2,1H3
InChIKeyGJCZOUDQQCSHJB-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.66
Rot. Bonds5

About 7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine

7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 54936727) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID54936727
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCOCCCOC1CC2(CCC1N)OCCO2
InChIInChI=1S/C12H23NO4/c1-14-5-2-6-15-11-9-12(4-3-10(11)13)16-7-8-17-12/h10-11H,2-9,13H2,1H3
InChIKeyGJCZOUDQQCSHJB-UHFFFAOYSA-N
XLogP0.66
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(7R,8R)-7-((Tributylstannyl)methoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 146161539
7-(2,2,2-Trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 16793855
7-(2,2,3,3-Tetrafluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 45283104
N-methyl-7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61757310
N-methyl-7-(2,2,2-trifluoroethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 61757310
7-(1,1,1-Trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 66276527
N-methyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 66277603
7-(2,2-difluoroethoxy)-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 82005165
7-(4,4,4-Trifluorobutoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 82789250
N-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 82954461
N-methyl-7-(3,3,3-trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 82954461
7-(3,3,3-Trifluoropropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 82955210

Frequently Asked Questions

What is the IUPAC name of 7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine (CID 54936727) is 7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine is COCCCOC1CC2(CCC1N)OCCO2.
What is the InChIKey of 7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is GJCZOUDQQCSHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-14-5-2-6-15-11-9-12(4-3-10(11)13)16-7-8-17-12/h10-11H,2-9,13H2,1H3.
What are the key properties of 7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 245.32 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 54936727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).