1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine

C13H23NO3 — CID 102648119

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)C1(OC)CCOCC1
InChIInChI=1S/C13H23NO3/c1-14-12(11-5-3-4-8-17-11)13(15-2)6-9-16-10-7-13/h5,12,14H,3-4,6-10H2,1-2H3
InChIKeyCWJMRWFFQMNHAM-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.46
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine (PubChem CID 102648119) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
PubChem CID102648119
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)C1(OC)CCOCC1
InChIInChI=1S/C13H23NO3/c1-14-12(11-5-3-4-8-17-11)13(15-2)6-9-16-10-7-13/h5,12,14H,3-4,6-10H2,1-2H3
InChIKeyCWJMRWFFQMNHAM-UHFFFAOYSA-N
XLogP1.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine (CID 102648119) is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine is CNC(C1=CCCCO1)C1(OC)CCOCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
The InChIKey is CWJMRWFFQMNHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-14-12(11-5-3-4-8-17-11)13(15-2)6-9-16-10-7-13/h5,12,14H,3-4,6-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine has a molecular weight of 241.33 g/mol, XLogP of 1.46, 4 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-6-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine is sourced from PubChem (CID 102648119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).