3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine

C14H27NO3 — CID 103408106

IUPAC3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine
SMILESCOCCOCCCOC1CC(N)C12CCCC2
InChIInChI=1S/C14H27NO3/c1-16-9-10-17-7-4-8-18-13-11-12(15)14(13)5-2-3-6-14/h12-13H,2-11,15H2,1H3
InChIKeyNBDABTNJIGDUHV-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.72
Rot. Bonds8

About 3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine

3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine (PubChem CID 103408106) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine
PubChem CID103408106
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine
SMILESCOCCOCCCOC1CC(N)C12CCCC2
InChIInChI=1S/C14H27NO3/c1-16-9-10-17-7-4-8-18-13-11-12(15)14(13)5-2-3-6-14/h12-13H,2-11,15H2,1H3
InChIKeyNBDABTNJIGDUHV-UHFFFAOYSA-N
XLogP1.72
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)spiro[3.5]nonan-1-amine
CID 66357984
2,2-diethyl-3-[3-(2-methoxyethoxy)propoxy]cyclobutan-1-amine
CID 103408108
3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane
CID 103176169
3-[2-(3-methoxypropoxy)ethoxy]-N-methylspiro[3.6]decan-1-amine
CID 103176206
3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine
CID 82794539
3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane
CID 66346140
3-methoxyspiro[3.4]octan-1-amine
CID 66357973
3-bromo-1-(2-butoxyethoxy)spiro[3.4]octane
CID 66344695
2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane
CID 103408040
3-(cycloheptylmethoxy)spiro[3.4]octan-1-amine
CID 114249127
1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane
CID 103408042
N-ethyl-3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylcyclobutan-1-amine
CID 103408066

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine?
The IUPAC name of 3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine (CID 103408106) is 3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine?
The canonical SMILES for 3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine is COCCOCCCOC1CC(N)C12CCCC2.
What is the InChIKey of 3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine?
The InChIKey is NBDABTNJIGDUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-16-9-10-17-7-4-8-18-13-11-12(15)14(13)5-2-3-6-14/h12-13H,2-11,15H2,1H3.
What are the key properties of 3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine?
3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine has a molecular weight of 257.37 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine is sourced from PubChem (CID 103408106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).