methylaminomethanol;hydrochloride

C6H22ClN3O3 — CID 158135432

IUPACmethylaminomethanol;hydrochloride
SMILESCNCO.CNCO.CNCO.Cl
InChIInChI=1S/3C2H7NO.ClH/c3*1-3-2-4;/h3*3-4H,2H2,1H3;1H
InChIKeyFTHCZYMFYCBWMW-UHFFFAOYSA-N
MW219.71 g/mol
LogP-2.11
Rot. Bonds3

About methylaminomethanol;hydrochloride

methylaminomethanol;hydrochloride (PubChem CID 158135432) has the molecular formula C6H22ClN3O3 and a molecular weight of 219.71 g/mol. Its IUPAC name is methylaminomethanol;hydrochloride.

Molecular Properties

Compound Namemethylaminomethanol;hydrochloride
PubChem CID158135432
Molecular FormulaC6H22ClN3O3
Molecular Weight219.71 g/mol
Exact Mass219.13
IUPAC Namemethylaminomethanol;hydrochloride
SMILESCNCO.CNCO.CNCO.Cl
InChIInChI=1S/3C2H7NO.ClH/c3*1-3-2-4;/h3*3-4H,2H2,1H3;1H
InChIKeyFTHCZYMFYCBWMW-UHFFFAOYSA-N
XLogP-2.11
TPSA96.78 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500219.71
LogP ≤ 5-2.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylaminomethanol;hydrochloride?
The IUPAC name of methylaminomethanol;hydrochloride (CID 158135432) is methylaminomethanol;hydrochloride.
What is the SMILES notation for methylaminomethanol;hydrochloride?
The canonical SMILES for methylaminomethanol;hydrochloride is CNCO.CNCO.CNCO.Cl.
What is the InChIKey of methylaminomethanol;hydrochloride?
The InChIKey is FTHCZYMFYCBWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H7NO.ClH/c3*1-3-2-4;/h3*3-4H,2H2,1H3;1H.
What are the key properties of methylaminomethanol;hydrochloride?
methylaminomethanol;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of -2.11, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethanol;hydrochloride is sourced from PubChem (CID 158135432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).