1,3-dioxan-5-ylmethanamine;hydrochloride

C5H12ClNO2 — CID 170918412

IUPAC1,3-dioxan-5-ylmethanamine;hydrochloride
SMILESCl.NCC1COCOC1
InChIInChI=1S/C5H11NO2.ClH/c6-1-5-2-7-4-8-3-5;/h5H,1-4,6H2;1H
InChIKeyFXUXOCYSJRSJPA-UHFFFAOYSA-N
MW153.61 g/mol
LogP-0.01
Rot. Bonds1

About 1,3-dioxan-5-ylmethanamine;hydrochloride

1,3-dioxan-5-ylmethanamine;hydrochloride (PubChem CID 170918412) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is 1,3-dioxan-5-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1,3-dioxan-5-ylmethanamine;hydrochloride
PubChem CID170918412
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Name1,3-dioxan-5-ylmethanamine;hydrochloride
SMILESCl.NCC1COCOC1
InChIInChI=1S/C5H11NO2.ClH/c6-1-5-2-7-4-8-3-5;/h5H,1-4,6H2;1H
InChIKeyFXUXOCYSJRSJPA-UHFFFAOYSA-N
XLogP-0.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxan-5-ylmethanamine;hydrochloride?
The IUPAC name of 1,3-dioxan-5-ylmethanamine;hydrochloride (CID 170918412) is 1,3-dioxan-5-ylmethanamine;hydrochloride.
What is the SMILES notation for 1,3-dioxan-5-ylmethanamine;hydrochloride?
The canonical SMILES for 1,3-dioxan-5-ylmethanamine;hydrochloride is Cl.NCC1COCOC1.
What is the InChIKey of 1,3-dioxan-5-ylmethanamine;hydrochloride?
The InChIKey is FXUXOCYSJRSJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.ClH/c6-1-5-2-7-4-8-3-5;/h5H,1-4,6H2;1H.
What are the key properties of 1,3-dioxan-5-ylmethanamine;hydrochloride?
1,3-dioxan-5-ylmethanamine;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxan-5-ylmethanamine;hydrochloride is sourced from PubChem (CID 170918412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).