oxan-3-amine;hydrochloride

C5H12ClNO — CID 46735995

IUPACoxan-3-amine;hydrochloride
SMILESCl.NC1CCCOC1
InChIInChI=1S/C5H11NO.ClH/c6-5-2-1-3-7-4-5;/h5H,1-4,6H2;1H
InChIKeyRETPVBQTPDYSBS-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.55
Rot. Bonds

About oxan-3-amine;hydrochloride

oxan-3-amine;hydrochloride (PubChem CID 46735995) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is oxan-3-amine;hydrochloride.

Molecular Properties

Compound Nameoxan-3-amine;hydrochloride
PubChem CID46735995
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Nameoxan-3-amine;hydrochloride
SMILESCl.NC1CCCOC1
InChIInChI=1S/C5H11NO.ClH/c6-5-2-1-3-7-4-5;/h5H,1-4,6H2;1H
InChIKeyRETPVBQTPDYSBS-UHFFFAOYSA-N
XLogP0.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxan-3-amine;hydrochloride?
The IUPAC name of oxan-3-amine;hydrochloride (CID 46735995) is oxan-3-amine;hydrochloride.
What is the SMILES notation for oxan-3-amine;hydrochloride?
The canonical SMILES for oxan-3-amine;hydrochloride is Cl.NC1CCCOC1.
What is the InChIKey of oxan-3-amine;hydrochloride?
The InChIKey is RETPVBQTPDYSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c6-5-2-1-3-7-4-5;/h5H,1-4,6H2;1H.
What are the key properties of oxan-3-amine;hydrochloride?
oxan-3-amine;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-amine;hydrochloride is sourced from PubChem (CID 46735995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).