hydroxymethyl-bis(methoxymethyl)-methylazanium

C6H16NO3+ — CID 54305886

IUPAChydroxymethyl-bis(methoxymethyl)-methylazanium
SMILESCOC[N+](C)(CO)COC
InChIInChI=1S/C6H16NO3/c1-7(4-8,5-9-2)6-10-3/h8H,4-6H2,1-3H3/q+1
InChIKeySHLMFSKDOBTASD-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.41
Rot. Bonds5

About hydroxymethyl-bis(methoxymethyl)-methylazanium

hydroxymethyl-bis(methoxymethyl)-methylazanium (PubChem CID 54305886) has the molecular formula C6H16NO3+ and a molecular weight of 150.20 g/mol. Its IUPAC name is hydroxymethyl-bis(methoxymethyl)-methylazanium.

Molecular Properties

Compound Namehydroxymethyl-bis(methoxymethyl)-methylazanium
PubChem CID54305886
Molecular FormulaC6H16NO3+
Molecular Weight150.20 g/mol
Exact Mass150.11
IUPAC Namehydroxymethyl-bis(methoxymethyl)-methylazanium
SMILESCOC[N+](C)(CO)COC
InChIInChI=1S/C6H16NO3/c1-7(4-8,5-9-2)6-10-3/h8H,4-6H2,1-3H3/q+1
InChIKeySHLMFSKDOBTASD-UHFFFAOYSA-N
XLogP-0.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxymethyl-bis(methoxymethyl)-methylazanium?
The IUPAC name of hydroxymethyl-bis(methoxymethyl)-methylazanium (CID 54305886) is hydroxymethyl-bis(methoxymethyl)-methylazanium.
What is the SMILES notation for hydroxymethyl-bis(methoxymethyl)-methylazanium?
The canonical SMILES for hydroxymethyl-bis(methoxymethyl)-methylazanium is COC[N+](C)(CO)COC.
What is the InChIKey of hydroxymethyl-bis(methoxymethyl)-methylazanium?
The InChIKey is SHLMFSKDOBTASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO3/c1-7(4-8,5-9-2)6-10-3/h8H,4-6H2,1-3H3/q+1.
What are the key properties of hydroxymethyl-bis(methoxymethyl)-methylazanium?
hydroxymethyl-bis(methoxymethyl)-methylazanium has a molecular weight of 150.20 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl-bis(methoxymethyl)-methylazanium is sourced from PubChem (CID 54305886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).