(E)-3-methyl-N-(5-methylhexoxy)butan-2-imine

C12H25NO — CID 58313233

IUPAC(E)-3-methyl-N-(5-methylhexoxy)butan-2-imine
SMILESC/C(=N\OCCCCC(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-10(2)8-6-7-9-14-13-12(5)11(3)4/h10-11H,6-9H2,1-5H3/b13-12+
InChIKeyYYXPMACLOXFXSC-OUKQBFOZSA-N
MW199.34 g/mol
LogP3.86
Rot. Bonds7

About (E)-3-methyl-N-(5-methylhexoxy)butan-2-imine

(E)-3-methyl-N-(5-methylhexoxy)butan-2-imine (PubChem CID 58313233) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (E)-3-methyl-N-(5-methylhexoxy)butan-2-imine.

Molecular Properties

Compound Name(E)-3-methyl-N-(5-methylhexoxy)butan-2-imine
PubChem CID58313233
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(E)-3-methyl-N-(5-methylhexoxy)butan-2-imine
SMILESC/C(=N\OCCCCC(C)C)C(C)C
InChIInChI=1S/C12H25NO/c1-10(2)8-6-7-9-14-13-12(5)11(3)4/h10-11H,6-9H2,1-5H3/b13-12+
InChIKeyYYXPMACLOXFXSC-OUKQBFOZSA-N
XLogP3.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 (E)-3-methyl-N-(5-methylhexoxy)butan-2-imine?
The IUPAC name of (E)-3-methyl-N-(5-methylhexoxy)butan-2-imine (CID 58313233) is (E)-3-methyl-N-(5-methylhexoxy)butan-2-imine.
What is the SMILES notation for (E)-3-methyl-N-(5-methylhexoxy)butan-2-imine?
The canonical SMILES for (E)-3-methyl-N-(5-methylhexoxy)butan-2-imine is C/C(=N\OCCCCC(C)C)C(C)C.
What is the InChIKey of (E)-3-methyl-N-(5-methylhexoxy)butan-2-imine?
The InChIKey is YYXPMACLOXFXSC-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(2)8-6-7-9-14-13-12(5)11(3)4/h10-11H,6-9H2,1-5H3/b13-12+.
What are the key properties of (E)-3-methyl-N-(5-methylhexoxy)butan-2-imine?
(E)-3-methyl-N-(5-methylhexoxy)butan-2-imine has a molecular weight of 199.34 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-(5-methylhexoxy)butan-2-imine is sourced from PubChem (CID 58313233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).