N-butan-2-yloxypropan-2-imine

C7H15NO — CID 22087389

IUPACN-butan-2-yloxypropan-2-imine
SMILESCCC(C)ON=C(C)C
InChIInChI=1S/C7H15NO/c1-5-7(4)9-8-6(2)3/h7H,5H2,1-4H3
InChIKeyQQGCHPJDJCPIEB-UHFFFAOYSA-N
MW129.20 g/mol
LogP2.20
Rot. Bonds3

About N-butan-2-yloxypropan-2-imine

N-butan-2-yloxypropan-2-imine (PubChem CID 22087389) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-butan-2-yloxypropan-2-imine.

Molecular Properties

Compound NameN-butan-2-yloxypropan-2-imine
PubChem CID22087389
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-butan-2-yloxypropan-2-imine
SMILESCCC(C)ON=C(C)C
InChIInChI=1S/C7H15NO/c1-5-7(4)9-8-6(2)3/h7H,5H2,1-4H3
InChIKeyQQGCHPJDJCPIEB-UHFFFAOYSA-N
XLogP2.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

O-Ethylacetoxime
CID 14177406
Acetone, O-propyloxime
CID 18725363
Acetone, O-isopropyloxime
CID 12696236
3,5-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12228202
2-Propanone, O-butyloxime
CID 22964096
(Z)-1-fluoro-N-propan-2-yloxybutan-2-imine
CID 88070533
pentan-3-one O-ethyloxime
CID 20642399
butan-2-one O-ethyloxime
CID 22087388
(Z)-N-butan-2-yloxybutan-2-imine
CID 12696242
N-(2-methylpropoxy)propan-2-imine
CID 21334172
N-butan-2-yloxybutan-2-imine
CID 53639231
N-Propoxy-2-butanimine
CID 53721210

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yloxypropan-2-imine?
The IUPAC name of N-butan-2-yloxypropan-2-imine (CID 22087389) is N-butan-2-yloxypropan-2-imine.
What is the SMILES notation for N-butan-2-yloxypropan-2-imine?
The canonical SMILES for N-butan-2-yloxypropan-2-imine is CCC(C)ON=C(C)C.
What is the InChIKey of N-butan-2-yloxypropan-2-imine?
The InChIKey is QQGCHPJDJCPIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-7(4)9-8-6(2)3/h7H,5H2,1-4H3.
What are the key properties of N-butan-2-yloxypropan-2-imine?
N-butan-2-yloxypropan-2-imine has a molecular weight of 129.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yloxypropan-2-imine is sourced from PubChem (CID 22087389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).