oxan-3-ylmethanamine;hydrochloride

C6H14ClNO — CID 22648120

IUPACoxan-3-ylmethanamine;hydrochloride
SMILESCl.NCC1CCCOC1
InChIInChI=1S/C6H13NO.ClH/c7-4-6-2-1-3-8-5-6;/h6H,1-5,7H2;1H
InChIKeyADKXKWJPOISVRF-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.79
Rot. Bonds1

About oxan-3-ylmethanamine;hydrochloride

oxan-3-ylmethanamine;hydrochloride (PubChem CID 22648120) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is oxan-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Nameoxan-3-ylmethanamine;hydrochloride
PubChem CID22648120
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Nameoxan-3-ylmethanamine;hydrochloride
SMILESCl.NCC1CCCOC1
InChIInChI=1S/C6H13NO.ClH/c7-4-6-2-1-3-8-5-6;/h6H,1-5,7H2;1H
InChIKeyADKXKWJPOISVRF-UHFFFAOYSA-N
XLogP0.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze oxan-3-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 oxan-3-ylmethanamine;hydrochloride?
The IUPAC name of oxan-3-ylmethanamine;hydrochloride (CID 22648120) is oxan-3-ylmethanamine;hydrochloride.
What is the SMILES notation for oxan-3-ylmethanamine;hydrochloride?
The canonical SMILES for oxan-3-ylmethanamine;hydrochloride is Cl.NCC1CCCOC1.
What is the InChIKey of oxan-3-ylmethanamine;hydrochloride?
The InChIKey is ADKXKWJPOISVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c7-4-6-2-1-3-8-5-6;/h6H,1-5,7H2;1H.
What are the key properties of oxan-3-ylmethanamine;hydrochloride?
oxan-3-ylmethanamine;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 22648120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).