2-methoxy-N-methylethanimine

C4H9NO — CID 22960349

IUPAC2-methoxy-N-methylethanimine
SMILESC/N=C/COC
InChIInChI=1S/C4H9NO/c1-5-3-4-6-2/h3H,4H2,1-2H3/b5-3+
InChIKeyKSMFVRQEVODVRL-HWKANZROSA-N
MW87.12 g/mol
LogP0.33
Rot. Bonds2

About 2-methoxy-N-methylethanimine

2-methoxy-N-methylethanimine (PubChem CID 22960349) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 2-methoxy-N-methylethanimine.

Molecular Properties

Compound Name2-methoxy-N-methylethanimine
PubChem CID22960349
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name2-methoxy-N-methylethanimine
SMILESC/N=C/COC
InChIInChI=1S/C4H9NO/c1-5-3-4-6-2/h3H,4H2,1-2H3/b5-3+
InChIKeyKSMFVRQEVODVRL-HWKANZROSA-N
XLogP0.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.33
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 2-methoxy-N-methylethanimine?
The IUPAC name of 2-methoxy-N-methylethanimine (CID 22960349) is 2-methoxy-N-methylethanimine.
What is the SMILES notation for 2-methoxy-N-methylethanimine?
The canonical SMILES for 2-methoxy-N-methylethanimine is C/N=C/COC.
What is the InChIKey of 2-methoxy-N-methylethanimine?
The InChIKey is KSMFVRQEVODVRL-HWKANZROSA-N. The full InChI is InChI=1S/C4H9NO/c1-5-3-4-6-2/h3H,4H2,1-2H3/b5-3+.
What are the key properties of 2-methoxy-N-methylethanimine?
2-methoxy-N-methylethanimine has a molecular weight of 87.12 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methylethanimine is sourced from PubChem (CID 22960349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).