[(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride

C6H14ClNO3 — CID 155978477

IUPAC[(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride
SMILESCl.NC[C@@H]1CO[C@@H](CO)CO1
InChIInChI=1S/C6H13NO3.ClH/c7-1-5-3-10-6(2-8)4-9-5;/h5-6,8H,1-4,7H2;1H/t5-,6+;/m1./s1
InChIKeyYRANRXNAUQXRRG-IBTYICNHSA-N
MW183.63 g/mol
LogP-0.86
Rot. Bonds2

About [(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride

[(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride (PubChem CID 155978477) has the molecular formula C6H14ClNO3 and a molecular weight of 183.63 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride
PubChem CID155978477
Molecular FormulaC6H14ClNO3
Molecular Weight183.63 g/mol
Exact Mass183.07
IUPAC Name[(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride
SMILESCl.NC[C@@H]1CO[C@@H](CO)CO1
InChIInChI=1S/C6H13NO3.ClH/c7-1-5-3-10-6(2-8)4-9-5;/h5-6,8H,1-4,7H2;1H/t5-,6+;/m1./s1
InChIKeyYRANRXNAUQXRRG-IBTYICNHSA-N
XLogP-0.86
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride?
The IUPAC name of [(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride (CID 155978477) is [(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride is Cl.NC[C@@H]1CO[C@@H](CO)CO1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride?
The InChIKey is YRANRXNAUQXRRG-IBTYICNHSA-N. The full InChI is InChI=1S/C6H13NO3.ClH/c7-1-5-3-10-6(2-8)4-9-5;/h5-6,8H,1-4,7H2;1H/t5-,6+;/m1./s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride?
[(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride is sourced from PubChem (CID 155978477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).