N-methylethanimine;oxane

C8H17NO — CID 68775785

IUPACN-methylethanimine;oxane
SMILESC/C=N/C.C1CCOCC1
InChIInChI=1S/C5H10O.C3H7N/c1-2-4-6-5-3-1;1-3-4-2/h1-5H2;3H,1-2H3/b;4-3+
InChIKeyJEICILQNQUSKLG-SCBDLNNBSA-N
MW143.23 g/mol
LogP1.89
Rot. Bonds

About N-methylethanimine;oxane

N-methylethanimine;oxane (PubChem CID 68775785) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-methylethanimine;oxane.

Molecular Properties

Compound NameN-methylethanimine;oxane
PubChem CID68775785
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-methylethanimine;oxane
SMILESC/C=N/C.C1CCOCC1
InChIInChI=1S/C5H10O.C3H7N/c1-2-4-6-5-3-1;1-3-4-2/h1-5H2;3H,1-2H3/b;4-3+
InChIKeyJEICILQNQUSKLG-SCBDLNNBSA-N
XLogP1.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylethanimine;oxane?
The IUPAC name of N-methylethanimine;oxane (CID 68775785) is N-methylethanimine;oxane.
What is the SMILES notation for N-methylethanimine;oxane?
The canonical SMILES for N-methylethanimine;oxane is C/C=N/C.C1CCOCC1.
What is the InChIKey of N-methylethanimine;oxane?
The InChIKey is JEICILQNQUSKLG-SCBDLNNBSA-N. The full InChI is InChI=1S/C5H10O.C3H7N/c1-2-4-6-5-3-1;1-3-4-2/h1-5H2;3H,1-2H3/b;4-3+.
What are the key properties of N-methylethanimine;oxane?
N-methylethanimine;oxane has a molecular weight of 143.23 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanimine;oxane is sourced from PubChem (CID 68775785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).