1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol

C14H28N2O3 — CID 10378559

IUPAC1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCOCC1CCCC/C1=N\OCC(O)CNC(C)C
InChIInChI=1S/C14H28N2O3/c1-11(2)15-8-13(17)10-19-16-14-7-5-4-6-12(14)9-18-3/h11-13,15,17H,4-10H2,1-3H3/b16-14+
InChIKeyWZJOKCZKMGLMCU-JQIJEIRASA-N
MW272.39 g/mol
LogP1.55
Rot. Bonds8

About 1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol

1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 10378559) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID10378559
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
SMILESCOCC1CCCC/C1=N\OCC(O)CNC(C)C
InChIInChI=1S/C14H28N2O3/c1-11(2)15-8-13(17)10-19-16-14-7-5-4-6-12(14)9-18-3/h11-13,15,17H,4-10H2,1-3H3/b16-14+
InChIKeyWZJOKCZKMGLMCU-JQIJEIRASA-N
XLogP1.55
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol (CID 10378559) is 1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol is COCC1CCCC/C1=N\OCC(O)CNC(C)C.
What is the InChIKey of 1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is WZJOKCZKMGLMCU-JQIJEIRASA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)15-8-13(17)10-19-16-14-7-5-4-6-12(14)9-18-3/h11-13,15,17H,4-10H2,1-3H3/b16-14+.
What are the key properties of 1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol?
1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 272.39 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[2-(methoxymethyl)cyclohexylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 10378559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).