1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine

C12H23NO2 — CID 134553769

IUPAC1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine
SMILESCCC/C(COCCOC)=N\C=C(C)C
InChIInChI=1S/C12H23NO2/c1-5-6-12(13-9-11(2)3)10-15-8-7-14-4/h9H,5-8,10H2,1-4H3/b13-12+
InChIKeyOGLNIUFMRLDSJS-OUKQBFOZSA-N
MW213.32 g/mol
LogP2.81
Rot. Bonds8

About 1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine

1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine (PubChem CID 134553769) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine
PubChem CID134553769
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine
SMILESCCC/C(COCCOC)=N\C=C(C)C
InChIInChI=1S/C12H23NO2/c1-5-6-12(13-9-11(2)3)10-15-8-7-14-4/h9H,5-8,10H2,1-4H3/b13-12+
InChIKeyOGLNIUFMRLDSJS-OUKQBFOZSA-N
XLogP2.81
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyethoxy)ethoxy]pentan-2-one
CID 104563962
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
ethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87301416
butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 161208459
(E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid
CID 63775244
1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 89328911
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1,2-dimethoxyethane;ethane
CID 91349162

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine?
The IUPAC name of 1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine (CID 134553769) is 1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine.
What is the SMILES notation for 1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine?
The canonical SMILES for 1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine is CCC/C(COCCOC)=N\C=C(C)C.
What is the InChIKey of 1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine?
The InChIKey is OGLNIUFMRLDSJS-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-6-12(13-9-11(2)3)10-15-8-7-14-4/h9H,5-8,10H2,1-4H3/b13-12+.
What are the key properties of 1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine?
1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine has a molecular weight of 213.32 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-N-(2-methylprop-1-enyl)pentan-2-imine is sourced from PubChem (CID 134553769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).