methanamine;tris(methanediol)

C4H17NO6 — CID 173091621

IUPACmethanamine;tris(methanediol)
SMILESCN.OCO.OCO.OCO
InChIInChI=1S/CH5N.3CH4O2/c1-2;3*2-1-3/h2H2,1H3;3*2-3H,1H2
InChIKeyOZTXEFDNQAYUBM-UHFFFAOYSA-N
MW175.18 g/mol
LogP-3.64
Rot. Bonds

About methanamine;tris(methanediol)

methanamine;tris(methanediol) (PubChem CID 173091621) has the molecular formula C4H17NO6 and a molecular weight of 175.18 g/mol. Its IUPAC name is methanamine;tris(methanediol).

Molecular Properties

Compound Namemethanamine;tris(methanediol)
PubChem CID173091621
Molecular FormulaC4H17NO6
Molecular Weight175.18 g/mol
Exact Mass175.11
IUPAC Namemethanamine;tris(methanediol)
SMILESCN.OCO.OCO.OCO
InChIInChI=1S/CH5N.3CH4O2/c1-2;3*2-1-3/h2H2,1H3;3*2-3H,1H2
InChIKeyOZTXEFDNQAYUBM-UHFFFAOYSA-N
XLogP-3.64
TPSA147.40 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500175.18
LogP ≤ 5-3.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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 methanamine;tris(methanediol)?
The IUPAC name of methanamine;tris(methanediol) (CID 173091621) is methanamine;tris(methanediol).
What is the SMILES notation for methanamine;tris(methanediol)?
The canonical SMILES for methanamine;tris(methanediol) is CN.OCO.OCO.OCO.
What is the InChIKey of methanamine;tris(methanediol)?
The InChIKey is OZTXEFDNQAYUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N.3CH4O2/c1-2;3*2-1-3/h2H2,1H3;3*2-3H,1H2.
What are the key properties of methanamine;tris(methanediol)?
methanamine;tris(methanediol) has a molecular weight of 175.18 g/mol, XLogP of -3.64, 0 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;tris(methanediol) is sourced from PubChem (CID 173091621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).