3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine

C12H21NO3 — CID 102648118

IUPAC3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine
SMILESCOC1(C(N)C2=CCCCO2)CCOCC1
InChIInChI=1S/C12H21NO3/c1-14-12(5-8-15-9-6-12)11(13)10-4-2-3-7-16-10/h4,11H,2-3,5-9,13H2,1H3
InChIKeyIEBWNXBSOVRNSP-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.20
Rot. Bonds3

About 3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine

3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine (PubChem CID 102648118) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine
PubChem CID102648118
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine
SMILESCOC1(C(N)C2=CCCCO2)CCOCC1
InChIInChI=1S/C12H21NO3/c1-14-12(5-8-15-9-6-12)11(13)10-4-2-3-7-16-10/h4,11H,2-3,5-9,13H2,1H3
InChIKeyIEBWNXBSOVRNSP-UHFFFAOYSA-N
XLogP1.20
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine (CID 102648118) is 3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine is COC1(C(N)C2=CCCCO2)CCOCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine?
The InChIKey is IEBWNXBSOVRNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-14-12(5-8-15-9-6-12)11(13)10-4-2-3-7-16-10/h4,11H,2-3,5-9,13H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine has a molecular weight of 227.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methanamine is sourced from PubChem (CID 102648118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).