N-propan-2-yloxyoxan-4-imine

C8H15NO2 — CID 59380355

IUPACN-propan-2-yloxyoxan-4-imine
SMILESCC(C)ON=C1CCOCC1
InChIInChI=1S/C8H15NO2/c1-7(2)11-9-8-3-5-10-6-4-8/h7H,3-6H2,1-2H3
InChIKeyHDXIQOFYRQDYIR-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.58
Rot. Bonds2

About N-propan-2-yloxyoxan-4-imine

N-propan-2-yloxyoxan-4-imine (PubChem CID 59380355) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-propan-2-yloxyoxan-4-imine.

Molecular Properties

Compound NameN-propan-2-yloxyoxan-4-imine
PubChem CID59380355
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-propan-2-yloxyoxan-4-imine
SMILESCC(C)ON=C1CCOCC1
InChIInChI=1S/C8H15NO2/c1-7(2)11-9-8-3-5-10-6-4-8/h7H,3-6H2,1-2H3
InChIKeyHDXIQOFYRQDYIR-UHFFFAOYSA-N
XLogP1.58
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
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 N-propan-2-yloxyoxan-4-imine?
The IUPAC name of N-propan-2-yloxyoxan-4-imine (CID 59380355) is N-propan-2-yloxyoxan-4-imine.
What is the SMILES notation for N-propan-2-yloxyoxan-4-imine?
The canonical SMILES for N-propan-2-yloxyoxan-4-imine is CC(C)ON=C1CCOCC1.
What is the InChIKey of N-propan-2-yloxyoxan-4-imine?
The InChIKey is HDXIQOFYRQDYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)11-9-8-3-5-10-6-4-8/h7H,3-6H2,1-2H3.
What are the key properties of N-propan-2-yloxyoxan-4-imine?
N-propan-2-yloxyoxan-4-imine has a molecular weight of 157.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxyoxan-4-imine is sourced from PubChem (CID 59380355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).