6-methyliminohexane-1,2,5-triol

C7H15NO3 — CID 144642264

IUPAC6-methyliminohexane-1,2,5-triol
SMILESC/N=C/C(O)CCC(O)CO
InChIInChI=1S/C7H15NO3/c1-8-4-6(10)2-3-7(11)5-9/h4,6-7,9-11H,2-3,5H2,1H3/b8-4+
InChIKeyMZVUBTJXUGEHLN-XBXARRHUSA-N
MW161.20 g/mol
LogP-0.82
Rot. Bonds5

About 6-methyliminohexane-1,2,5-triol

6-methyliminohexane-1,2,5-triol (PubChem CID 144642264) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 6-methyliminohexane-1,2,5-triol.

Molecular Properties

Compound Name6-methyliminohexane-1,2,5-triol
PubChem CID144642264
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name6-methyliminohexane-1,2,5-triol
SMILESC/N=C/C(O)CCC(O)CO
InChIInChI=1S/C7H15NO3/c1-8-4-6(10)2-3-7(11)5-9/h4,6-7,9-11H,2-3,5H2,1H3/b8-4+
InChIKeyMZVUBTJXUGEHLN-XBXARRHUSA-N
XLogP-0.82
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyliminohexane-1,2,5-triol?
The IUPAC name of 6-methyliminohexane-1,2,5-triol (CID 144642264) is 6-methyliminohexane-1,2,5-triol.
What is the SMILES notation for 6-methyliminohexane-1,2,5-triol?
The canonical SMILES for 6-methyliminohexane-1,2,5-triol is C/N=C/C(O)CCC(O)CO.
What is the InChIKey of 6-methyliminohexane-1,2,5-triol?
The InChIKey is MZVUBTJXUGEHLN-XBXARRHUSA-N. The full InChI is InChI=1S/C7H15NO3/c1-8-4-6(10)2-3-7(11)5-9/h4,6-7,9-11H,2-3,5H2,1H3/b8-4+.
What are the key properties of 6-methyliminohexane-1,2,5-triol?
6-methyliminohexane-1,2,5-triol has a molecular weight of 161.20 g/mol, XLogP of -0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyliminohexane-1,2,5-triol is sourced from PubChem (CID 144642264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).