N-(5-methoxypentyl)ethanimine

C8H17NO — CID 89373982

IUPACN-(5-methoxypentyl)ethanimine
SMILESC/C=N/CCCCCOC
InChIInChI=1S/C8H17NO/c1-3-9-7-5-4-6-8-10-2/h3H,4-8H2,1-2H3/b9-3+
InChIKeyYVGGEGDGTIGVIK-YCRREMRBSA-N
MW143.23 g/mol
LogP1.89
Rot. Bonds6

About N-(5-methoxypentyl)ethanimine

N-(5-methoxypentyl)ethanimine (PubChem CID 89373982) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(5-methoxypentyl)ethanimine.

Molecular Properties

Compound NameN-(5-methoxypentyl)ethanimine
PubChem CID89373982
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(5-methoxypentyl)ethanimine
SMILESC/C=N/CCCCCOC
InChIInChI=1S/C8H17NO/c1-3-9-7-5-4-6-8-10-2/h3H,4-8H2,1-2H3/b9-3+
InChIKeyYVGGEGDGTIGVIK-YCRREMRBSA-N
XLogP1.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.89
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)ethanimine?
The IUPAC name of N-(5-methoxypentyl)ethanimine (CID 89373982) is N-(5-methoxypentyl)ethanimine.
What is the SMILES notation for N-(5-methoxypentyl)ethanimine?
The canonical SMILES for N-(5-methoxypentyl)ethanimine is C/C=N/CCCCCOC.
What is the InChIKey of N-(5-methoxypentyl)ethanimine?
The InChIKey is YVGGEGDGTIGVIK-YCRREMRBSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-9-7-5-4-6-8-10-2/h3H,4-8H2,1-2H3/b9-3+.
What are the key properties of N-(5-methoxypentyl)ethanimine?
N-(5-methoxypentyl)ethanimine has a molecular weight of 143.23 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)ethanimine is sourced from PubChem (CID 89373982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).