oxolan-2-ylmethanamine;hydrochloride

C5H12ClNO — CID 16644241

IUPACoxolan-2-ylmethanamine;hydrochloride
SMILESCl.NCC1CCCO1
InChIInChI=1S/C5H11NO.ClH/c6-4-5-2-1-3-7-5;/h5H,1-4,6H2;1H
InChIKeyTUXSUKLRDNJDOR-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.55
Rot. Bonds1

About oxolan-2-ylmethanamine;hydrochloride

oxolan-2-ylmethanamine;hydrochloride (PubChem CID 16644241) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is oxolan-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Nameoxolan-2-ylmethanamine;hydrochloride
PubChem CID16644241
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Nameoxolan-2-ylmethanamine;hydrochloride
SMILESCl.NCC1CCCO1
InChIInChI=1S/C5H11NO.ClH/c6-4-5-2-1-3-7-5;/h5H,1-4,6H2;1H
InChIKeyTUXSUKLRDNJDOR-UHFFFAOYSA-N
XLogP0.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 oxolan-2-ylmethanamine;hydrochloride?
The IUPAC name of oxolan-2-ylmethanamine;hydrochloride (CID 16644241) is oxolan-2-ylmethanamine;hydrochloride.
What is the SMILES notation for oxolan-2-ylmethanamine;hydrochloride?
The canonical SMILES for oxolan-2-ylmethanamine;hydrochloride is Cl.NCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethanamine;hydrochloride?
The InChIKey is TUXSUKLRDNJDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c6-4-5-2-1-3-7-5;/h5H,1-4,6H2;1H.
What are the key properties of oxolan-2-ylmethanamine;hydrochloride?
oxolan-2-ylmethanamine;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 16644241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).