2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C12H23NO3 — CID 103184905

IUPAC2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCOCCCOCCC1(N)CC2CCC1O2
InChIInChI=1S/C12H23NO3/c1-14-6-2-7-15-8-5-12(13)9-10-3-4-11(12)16-10/h10-11H,2-9,13H2,1H3
InChIKeyLMUMUGYEXSJPFZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds7

About 2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 103184905) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID103184905
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCOCCCOCCC1(N)CC2CCC1O2
InChIInChI=1S/C12H23NO3/c1-14-6-2-7-15-8-5-12(13)9-10-3-4-11(12)16-10/h10-11H,2-9,13H2,1H3
InChIKeyLMUMUGYEXSJPFZ-UHFFFAOYSA-N
XLogP1.08
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.08
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

2-(3-methoxypropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65419438
2-(3-ethylsulfonylpropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 65420745
1-[2-(3-methoxypropoxy)ethyl]cyclobutan-1-amine
CID 103184766
1-[2-[4-(3-aminopropoxy)butoxy]ethyl]-2-methylcyclopropan-1-amine
CID 70445750
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
2-[(5-methyloxolan-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 103142389
2-[2-(2-methylpyrazol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 103017721
1-[1-[2-(3-methoxypropoxy)ethyl]cyclopropyl]ethanone
CID 106797314
2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine
CID 82239429
2-[2-(3-methoxypropoxy)ethoxy]-4,4-dimethylcyclohexan-1-amine
CID 103177313
2-[3-[2-(3-methoxypropoxy)ethoxy]propoxymethyl]oxirane
CID 101393644
2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 102901926

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 103184905) is 2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is COCCCOCCC1(N)CC2CCC1O2.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is LMUMUGYEXSJPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-14-6-2-7-15-8-5-12(13)9-10-3-4-11(12)16-10/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 229.32 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 103184905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).