5-iminohexane-1,1-diol

C6H13NO2 — CID 54340938

IUPAC5-iminohexane-1,1-diol
SMILES[H]/N=C(\C)CCCC(O)O
InChIInChI=1S/C6H13NO2/c1-5(7)3-2-4-6(8)9/h6-9H,2-4H2,1H3/b7-5+
InChIKeyTYXHSRWJXPUHLT-FNORWQNLSA-N
MW131.17 g/mol
LogP0.51
Rot. Bonds4

About 5-iminohexane-1,1-diol

5-iminohexane-1,1-diol (PubChem CID 54340938) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 5-iminohexane-1,1-diol.

Molecular Properties

Compound Name5-iminohexane-1,1-diol
PubChem CID54340938
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name5-iminohexane-1,1-diol
SMILES[H]/N=C(\C)CCCC(O)O
InChIInChI=1S/C6H13NO2/c1-5(7)3-2-4-6(8)9/h6-9H,2-4H2,1H3/b7-5+
InChIKeyTYXHSRWJXPUHLT-FNORWQNLSA-N
XLogP0.51
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-iminohexane-1,1-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-iminohexane-1,1-diol?
The IUPAC name of 5-iminohexane-1,1-diol (CID 54340938) is 5-iminohexane-1,1-diol.
What is the SMILES notation for 5-iminohexane-1,1-diol?
The canonical SMILES for 5-iminohexane-1,1-diol is [H]/N=C(\C)CCCC(O)O.
What is the InChIKey of 5-iminohexane-1,1-diol?
The InChIKey is TYXHSRWJXPUHLT-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(7)3-2-4-6(8)9/h6-9H,2-4H2,1H3/b7-5+.
What are the key properties of 5-iminohexane-1,1-diol?
5-iminohexane-1,1-diol has a molecular weight of 131.17 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminohexane-1,1-diol is sourced from PubChem (CID 54340938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).