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

C12H23NO3 — CID 102928220

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
SMILESCNC(CCOCCOC)C1=COCCC1
InChIInChI=1S/C12H23NO3/c1-13-12(5-7-15-9-8-14-2)11-4-3-6-16-10-11/h10,12-13H,3-9H2,1-2H3
InChIKeyJOKNICVRRWVSJZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.32
Rot. Bonds8

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

1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine (PubChem CID 102928220) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
PubChem CID102928220
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
SMILESCNC(CCOCCOC)C1=COCCC1
InChIInChI=1S/C12H23NO3/c1-13-12(5-7-15-9-8-14-2)11-4-3-6-16-10-11/h10,12-13H,3-9H2,1-2H3
InChIKeyJOKNICVRRWVSJZ-UHFFFAOYSA-N
XLogP1.32
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.32
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)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148624
1-(3,4-dihydro-2H-pyran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148776
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylpropan-1-amine
CID 103149395
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylpropan-1-amine
CID 103149719
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 104058659
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 104058660
1-(3,4-dihydro-2H-pyran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 104059227
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 113780927
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-propylpropan-1-amine
CID 113781112
N,2-dimethyl-1-(oxan-3-yl)prop-2-en-1-amine
CID 79179054
1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)propan-1-amine
CID 102927958
1-(2-methoxyethoxy)-N-methyl-5-methylideneheptan-3-amine
CID 102928144

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine (CID 102928220) is 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine is CNC(CCOCCOC)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine?
The InChIKey is JOKNICVRRWVSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-13-12(5-7-15-9-8-14-2)11-4-3-6-16-10-11/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine has a molecular weight of 229.32 g/mol, XLogP of 1.32, 8 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)-N-methylpropan-1-amine is sourced from PubChem (CID 102928220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).