1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine

C13H18N2O2 — CID 55030405

IUPAC1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
SMILESCOc1ncccc1CNCC1CCC=CO1
InChIInChI=1S/C13H18N2O2/c1-16-13-11(5-4-7-15-13)9-14-10-12-6-2-3-8-17-12/h3-5,7-8,12,14H,2,6,9-10H2,1H3
InChIKeyUFPRFTQZCBROJD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.87
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine

1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine (PubChem CID 55030405) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
PubChem CID55030405
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
SMILESCOc1ncccc1CNCC1CCC=CO1
InChIInChI=1S/C13H18N2O2/c1-16-13-11(5-4-7-15-13)9-14-10-12-6-2-3-8-17-12/h3-5,7-8,12,14H,2,6,9-10H2,1H3
InChIKeyUFPRFTQZCBROJD-UHFFFAOYSA-N
XLogP1.87
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.87
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-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine (CID 55030405) is 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine is COc1ncccc1CNCC1CCC=CO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
The InChIKey is UFPRFTQZCBROJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-16-13-11(5-4-7-15-13)9-14-10-12-6-2-3-8-17-12/h3-5,7-8,12,14H,2,6,9-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine?
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine has a molecular weight of 234.30 g/mol, XLogP of 1.87, 5 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-2-yl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 55030405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).