[3-(4-methoxybutoxy)oxan-3-yl]methanamine

C11H23NO3 — CID 104646740

IUPAC[3-(4-methoxybutoxy)oxan-3-yl]methanamine
SMILESCOCCCCOC1(CN)CCCOC1
InChIInChI=1S/C11H23NO3/c1-13-6-2-3-8-15-11(9-12)5-4-7-14-10-11/h2-10,12H2,1H3
InChIKeyRNNYGFVTXSXUDC-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.94
Rot. Bonds7

About [3-(4-methoxybutoxy)oxan-3-yl]methanamine

[3-(4-methoxybutoxy)oxan-3-yl]methanamine (PubChem CID 104646740) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is [3-(4-methoxybutoxy)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-methoxybutoxy)oxan-3-yl]methanamine
PubChem CID104646740
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name[3-(4-methoxybutoxy)oxan-3-yl]methanamine
SMILESCOCCCCOC1(CN)CCCOC1
InChIInChI=1S/C11H23NO3/c1-13-6-2-3-8-15-11(9-12)5-4-7-14-10-11/h2-10,12H2,1H3
InChIKeyRNNYGFVTXSXUDC-UHFFFAOYSA-N
XLogP0.94
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.94
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-hexoxyoxan-3-yl)methanamine
CID 65051462
3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 114524598
[1-(3-methoxypropoxy)cyclopentyl]methanamine
CID 62106813
2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol
CID 124681348
[1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine
CID 113436771
[3-(3-methoxypropyl)oxan-3-yl]methanol
CID 66059448
[3-[(4-ethylmorpholin-2-yl)methoxy]oxan-3-yl]methanamine
CID 79165722
2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide
CID 65051453
[3-(2-bicyclo[2.2.1]heptanylmethoxy)oxan-3-yl]methanamine
CID 79554321
[3-(4-ethylcyclohexyl)oxyoxan-3-yl]methanamine
CID 65051716
2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide
CID 65051564
(1-methoxycyclobutyl)methanamine
CID 66072375

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxybutoxy)oxan-3-yl]methanamine?
The IUPAC name of [3-(4-methoxybutoxy)oxan-3-yl]methanamine (CID 104646740) is [3-(4-methoxybutoxy)oxan-3-yl]methanamine.
What is the SMILES notation for [3-(4-methoxybutoxy)oxan-3-yl]methanamine?
The canonical SMILES for [3-(4-methoxybutoxy)oxan-3-yl]methanamine is COCCCCOC1(CN)CCCOC1.
What is the InChIKey of [3-(4-methoxybutoxy)oxan-3-yl]methanamine?
The InChIKey is RNNYGFVTXSXUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-13-6-2-3-8-15-11(9-12)5-4-7-14-10-11/h2-10,12H2,1H3.
What are the key properties of [3-(4-methoxybutoxy)oxan-3-yl]methanamine?
[3-(4-methoxybutoxy)oxan-3-yl]methanamine has a molecular weight of 217.31 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxybutoxy)oxan-3-yl]methanamine is sourced from PubChem (CID 104646740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).