1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine

C11H21NO3 — CID 102927958

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCC(N)C1=COCCC1
InChIInChI=1S/C11H21NO3/c1-13-7-8-14-6-4-11(12)10-3-2-5-15-9-10/h9,11H,2-8,12H2,1H3
InChIKeyHTHIZAOPYKEDQR-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.06
Rot. Bonds7

About 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 102927958) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine
PubChem CID102927958
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCC(N)C1=COCCC1
InChIInChI=1S/C11H21NO3/c1-13-7-8-14-6-4-11(12)10-3-2-5-15-9-10/h9,11H,2-8,12H2,1H3
InChIKeyHTHIZAOPYKEDQR-UHFFFAOYSA-N
XLogP1.06
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.06
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

1-(3,4-dihydro-2H-pyran-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148161
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine
CID 103149061
3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride
CID 55255755
3-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol
CID 55255756
1-(2-Methoxyethoxy)-5-methylideneheptan-3-amine
CID 102927882
1-(2-Methoxyethoxy)-6-methylhept-6-en-3-amine
CID 102927910
1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928220
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928476
[1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102930022
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-3-methylbutan-1-amine
CID 103029310
1-(3,4-dihydro-2H-pyran-5-yl)-2-(1,3-dioxolan-2-yl)ethanamine
CID 103544151
1-(3,4-dihydro-2H-pyran-5-yl)-2-(oxolan-2-yl)ethanamine
CID 104058526

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine (CID 102927958) is 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine is COCCOCCC(N)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is HTHIZAOPYKEDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-13-7-8-14-6-4-11(12)10-3-2-5-15-9-10/h9,11H,2-8,12H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 215.29 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 102927958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).