3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride

C6H12ClNO — CID 119031419

IUPAC3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride
SMILESCl.NCC1=CCCOC1
InChIInChI=1S/C6H11NO.ClH/c7-4-6-2-1-3-8-5-6;/h2H,1,3-5,7H2;1H
InChIKeyUBOQUUZMNNNQHS-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.71
Rot. Bonds1

About 3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride

3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride (PubChem CID 119031419) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride
PubChem CID119031419
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride
SMILESCl.NCC1=CCCOC1
InChIInChI=1S/C6H11NO.ClH/c7-4-6-2-1-3-8-5-6;/h2H,1,3-5,7H2;1H
InChIKeyUBOQUUZMNNNQHS-UHFFFAOYSA-N
XLogP0.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride?
The IUPAC name of 3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride (CID 119031419) is 3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride.
What is the SMILES notation for 3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride?
The canonical SMILES for 3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride is Cl.NCC1=CCCOC1.
What is the InChIKey of 3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride?
The InChIKey is UBOQUUZMNNNQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c7-4-6-2-1-3-8-5-6;/h2H,1,3-5,7H2;1H.
What are the key properties of 3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride?
3,6-dihydro-2H-pyran-5-ylmethanamine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.71, 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-5-ylmethanamine;hydrochloride is sourced from PubChem (CID 119031419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).