3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine

C12H23NO2 — CID 66357984

IUPAC3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine
SMILESCOCCOC1CC(N)C12CCCCC2
InChIInChI=1S/C12H23NO2/c1-14-7-8-15-11-9-10(13)12(11)5-3-2-4-6-12/h10-11H,2-9,13H2,1H3
InChIKeyABEWOGDVAGARCU-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.70
Rot. Bonds4

About 3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine

3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine (PubChem CID 66357984) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine
PubChem CID66357984
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine
SMILESCOCCOC1CC(N)C12CCCCC2
InChIInChI=1S/C12H23NO2/c1-14-7-8-15-11-9-10(13)12(11)5-3-2-4-6-12/h10-11H,2-9,13H2,1H3
InChIKeyABEWOGDVAGARCU-UHFFFAOYSA-N
XLogP1.70
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine
CID 103408106
3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane
CID 66346140
(1R,3S)-3-ethoxyspiro[3.4]octan-1-amine
CID 95566836
3-(2-phenoxyethoxy)spiro[3.6]decan-1-amine
CID 66358588
3-methoxyspiro[3.4]octan-1-amine
CID 66357973
3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine
CID 82794539
3-(2-phenoxyethoxy)spiro[3.4]octan-1-amine
CID 66357773
3-(2,2,2-trifluoroethoxy)spiro[3.6]decan-1-amine
CID 66357564
3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine
CID 114249127
3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane
CID 103176169
3-(4-methylpentan-2-yloxy)spiro[3.6]decan-1-amine
CID 66357190
3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine
CID 103176206

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine (CID 66357984) is 3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine is COCCOC1CC(N)C12CCCCC2.
What is the InChIKey of 3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine?
The InChIKey is ABEWOGDVAGARCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-14-7-8-15-11-9-10(13)12(11)5-3-2-4-6-12/h10-11H,2-9,13H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine?
3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 66357984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).