3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine

C11H23NO3 — CID 106469036

IUPAC3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
SMILESCOCCCOCCC1COCCC1N
InChIInChI=1S/C11H23NO3/c1-13-5-2-6-14-7-3-10-9-15-8-4-11(10)12/h10-11H,2-9,12H2,1H3
InChIKeyIEGXXENXGXLHRC-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.79
Rot. Bonds7

About 3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine

3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine (PubChem CID 106469036) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine.

Molecular Properties

Compound Name3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
PubChem CID106469036
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
SMILESCOCCCOCCC1COCCC1N
InChIInChI=1S/C11H23NO3/c1-13-5-2-6-14-7-3-10-9-15-8-4-11(10)12/h10-11H,2-9,12H2,1H3
InChIKeyIEGXXENXGXLHRC-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
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-[2-(2-butoxyethoxy)ethoxy]ethyl]oxan-4-amine
CID 106469054
3-(2-propoxyethyl)oxan-4-amine
CID 106469000
3-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 106468961
3-(2-butoxyethyl)-4-chlorooxane
CID 106471474
3-(3-methoxypropyl)-N-methyloxan-4-amine
CID 106469107
2-[3-(2-methoxyethoxy)propyl]cyclobutan-1-amine
CID 103415817
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-amine
CID 104560818
N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine
CID 106469345
2-[3-(2-methoxyethoxy)propyl]cyclohexan-1-amine
CID 103410699
[2-(3-methoxypropyl)cyclobutyl]methanamine
CID 81010610
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
(3S,4R)-3-methoxyoxan-4-amine;hydrochloride
CID 122235837

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine?
The IUPAC name of 3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine (CID 106469036) is 3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine.
What is the SMILES notation for 3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine?
The canonical SMILES for 3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine is COCCCOCCC1COCCC1N.
What is the InChIKey of 3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine?
The InChIKey is IEGXXENXGXLHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-13-5-2-6-14-7-3-10-9-15-8-4-11(10)12/h10-11H,2-9,12H2,1H3.
What are the key properties of 3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine?
3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine has a molecular weight of 217.31 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine is sourced from PubChem (CID 106469036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).