5-iminohexan-2-ol

C6H13NO — CID 123573837

IUPAC5-iminohexan-2-ol
SMILES[H]/N=C(\C)CCC(C)O
InChIInChI=1S/C6H13NO/c1-5(7)3-4-6(2)8/h6-8H,3-4H2,1-2H3/b7-5+
InChIKeyUDTHUCRAGSJDEB-FNORWQNLSA-N
MW115.18 g/mol
LogP1.19
Rot. Bonds3

About 5-iminohexan-2-ol

5-iminohexan-2-ol (PubChem CID 123573837) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 5-iminohexan-2-ol.

Molecular Properties

Compound Name5-iminohexan-2-ol
PubChem CID123573837
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name5-iminohexan-2-ol
SMILES[H]/N=C(\C)CCC(C)O
InChIInChI=1S/C6H13NO/c1-5(7)3-4-6(2)8/h6-8H,3-4H2,1-2H3/b7-5+
InChIKeyUDTHUCRAGSJDEB-FNORWQNLSA-N
XLogP1.19
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-iminohexan-2-ol?
The IUPAC name of 5-iminohexan-2-ol (CID 123573837) is 5-iminohexan-2-ol.
What is the SMILES notation for 5-iminohexan-2-ol?
The canonical SMILES for 5-iminohexan-2-ol is [H]/N=C(\C)CCC(C)O.
What is the InChIKey of 5-iminohexan-2-ol?
The InChIKey is UDTHUCRAGSJDEB-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(7)3-4-6(2)8/h6-8H,3-4H2,1-2H3/b7-5+.
What are the key properties of 5-iminohexan-2-ol?
5-iminohexan-2-ol has a molecular weight of 115.18 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iminohexan-2-ol is sourced from PubChem (CID 123573837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).