N-ethenoxy-2,4-dimethylpentan-3-imine

C9H17NO — CID 15496258

IUPACN-ethenoxy-2,4-dimethylpentan-3-imine
SMILESC=CON=C(C(C)C)C(C)C
InChIInChI=1S/C9H17NO/c1-6-11-10-9(7(2)3)8(4)5/h6-8H,1H2,2-5H3
InChIKeyVLUZKAPOAJAQCX-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.81
Rot. Bonds4

About N-ethenoxy-2,4-dimethylpentan-3-imine

N-ethenoxy-2,4-dimethylpentan-3-imine (PubChem CID 15496258) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-ethenoxy-2,4-dimethylpentan-3-imine.

Molecular Properties

Compound NameN-ethenoxy-2,4-dimethylpentan-3-imine
PubChem CID15496258
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-ethenoxy-2,4-dimethylpentan-3-imine
SMILESC=CON=C(C(C)C)C(C)C
InChIInChI=1S/C9H17NO/c1-6-11-10-9(7(2)3)8(4)5/h6-8H,1H2,2-5H3
InChIKeyVLUZKAPOAJAQCX-UHFFFAOYSA-N
XLogP2.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-ethenoxy-2,4-dimethylpentan-3-imine?
The IUPAC name of N-ethenoxy-2,4-dimethylpentan-3-imine (CID 15496258) is N-ethenoxy-2,4-dimethylpentan-3-imine.
What is the SMILES notation for N-ethenoxy-2,4-dimethylpentan-3-imine?
The canonical SMILES for N-ethenoxy-2,4-dimethylpentan-3-imine is C=CON=C(C(C)C)C(C)C.
What is the InChIKey of N-ethenoxy-2,4-dimethylpentan-3-imine?
The InChIKey is VLUZKAPOAJAQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-11-10-9(7(2)3)8(4)5/h6-8H,1H2,2-5H3.
What are the key properties of N-ethenoxy-2,4-dimethylpentan-3-imine?
N-ethenoxy-2,4-dimethylpentan-3-imine has a molecular weight of 155.24 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenoxy-2,4-dimethylpentan-3-imine is sourced from PubChem (CID 15496258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).