2-(cyclohexylideneamino)oxypropan-1-ol

C9H17NO2 — CID 139771330

IUPAC2-(cyclohexylideneamino)oxypropan-1-ol
SMILESCC(CO)ON=C1CCCCC1
InChIInChI=1S/C9H17NO2/c1-8(7-11)12-10-9-5-3-2-4-6-9/h8,11H,2-7H2,1H3
InChIKeyOZYDNVKNSPXIJQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.70
Rot. Bonds3

About 2-(cyclohexylideneamino)oxypropan-1-ol

2-(cyclohexylideneamino)oxypropan-1-ol (PubChem CID 139771330) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(cyclohexylideneamino)oxypropan-1-ol.

Molecular Properties

Compound Name2-(cyclohexylideneamino)oxypropan-1-ol
PubChem CID139771330
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(cyclohexylideneamino)oxypropan-1-ol
SMILESCC(CO)ON=C1CCCCC1
InChIInChI=1S/C9H17NO2/c1-8(7-11)12-10-9-5-3-2-4-6-9/h8,11H,2-7H2,1H3
InChIKeyOZYDNVKNSPXIJQ-UHFFFAOYSA-N
XLogP1.70
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylideneamino)oxypropan-1-ol?
The IUPAC name of 2-(cyclohexylideneamino)oxypropan-1-ol (CID 139771330) is 2-(cyclohexylideneamino)oxypropan-1-ol.
What is the SMILES notation for 2-(cyclohexylideneamino)oxypropan-1-ol?
The canonical SMILES for 2-(cyclohexylideneamino)oxypropan-1-ol is CC(CO)ON=C1CCCCC1.
What is the InChIKey of 2-(cyclohexylideneamino)oxypropan-1-ol?
The InChIKey is OZYDNVKNSPXIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(7-11)12-10-9-5-3-2-4-6-9/h8,11H,2-7H2,1H3.
What are the key properties of 2-(cyclohexylideneamino)oxypropan-1-ol?
2-(cyclohexylideneamino)oxypropan-1-ol has a molecular weight of 171.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylideneamino)oxypropan-1-ol is sourced from PubChem (CID 139771330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).