3,6-dihydro-2H-pyran-4-ylmethanamine

C6H11NO — CID 105427013

IUPAC3,6-dihydro-2H-pyran-4-ylmethanamine
SMILESNCC1=CCOCC1
InChIInChI=1S/C6H11NO/c7-5-6-1-3-8-4-2-6/h1H,2-5,7H2
InChIKeyQOQPLUHKCHMZSQ-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.29
Rot. Bonds1

About 3,6-dihydro-2H-pyran-4-ylmethanamine

3,6-dihydro-2H-pyran-4-ylmethanamine (PubChem CID 105427013) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran-4-ylmethanamine.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran-4-ylmethanamine
PubChem CID105427013
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3,6-dihydro-2H-pyran-4-ylmethanamine
SMILESNCC1=CCOCC1
InChIInChI=1S/C6H11NO/c7-5-6-1-3-8-4-2-6/h1H,2-5,7H2
InChIKeyQOQPLUHKCHMZSQ-UHFFFAOYSA-N
XLogP0.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyran-4-ylmethanamine?
The IUPAC name of 3,6-dihydro-2H-pyran-4-ylmethanamine (CID 105427013) is 3,6-dihydro-2H-pyran-4-ylmethanamine.
What is the SMILES notation for 3,6-dihydro-2H-pyran-4-ylmethanamine?
The canonical SMILES for 3,6-dihydro-2H-pyran-4-ylmethanamine is NCC1=CCOCC1.
What is the InChIKey of 3,6-dihydro-2H-pyran-4-ylmethanamine?
The InChIKey is QOQPLUHKCHMZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c7-5-6-1-3-8-4-2-6/h1H,2-5,7H2.
What are the key properties of 3,6-dihydro-2H-pyran-4-ylmethanamine?
3,6-dihydro-2H-pyran-4-ylmethanamine has a molecular weight of 113.16 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyran-4-ylmethanamine is sourced from PubChem (CID 105427013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).