N-(4-methylpentan-2-yloxy)ethanimine

C8H17NO — CID 54468330

IUPACN-(4-methylpentan-2-yloxy)ethanimine
SMILESCC=NOC(C)CC(C)C
InChIInChI=1S/C8H17NO/c1-5-9-10-8(4)6-7(2)3/h5,7-8H,6H2,1-4H3
InChIKeyMCWVGPTYJVVZNH-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.44
Rot. Bonds4

About N-(4-methylpentan-2-yloxy)ethanimine

N-(4-methylpentan-2-yloxy)ethanimine (PubChem CID 54468330) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(4-methylpentan-2-yloxy)ethanimine.

Molecular Properties

Compound NameN-(4-methylpentan-2-yloxy)ethanimine
PubChem CID54468330
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(4-methylpentan-2-yloxy)ethanimine
SMILESCC=NOC(C)CC(C)C
InChIInChI=1S/C8H17NO/c1-5-9-10-8(4)6-7(2)3/h5,7-8H,6H2,1-4H3
InChIKeyMCWVGPTYJVVZNH-UHFFFAOYSA-N
XLogP2.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yloxy)ethanimine?
The IUPAC name of N-(4-methylpentan-2-yloxy)ethanimine (CID 54468330) is N-(4-methylpentan-2-yloxy)ethanimine.
What is the SMILES notation for N-(4-methylpentan-2-yloxy)ethanimine?
The canonical SMILES for N-(4-methylpentan-2-yloxy)ethanimine is CC=NOC(C)CC(C)C.
What is the InChIKey of N-(4-methylpentan-2-yloxy)ethanimine?
The InChIKey is MCWVGPTYJVVZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-9-10-8(4)6-7(2)3/h5,7-8H,6H2,1-4H3.
What are the key properties of N-(4-methylpentan-2-yloxy)ethanimine?
N-(4-methylpentan-2-yloxy)ethanimine has a molecular weight of 143.23 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yloxy)ethanimine is sourced from PubChem (CID 54468330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).