3-methoxybutan-2-imine

C5H11NO — CID 90191917

IUPAC3-methoxybutan-2-imine
SMILES[H]/N=C(\C)C(C)OC
InChIInChI=1S/C5H11NO/c1-4(6)5(2)7-3/h5-6H,1-3H3/b6-4+
InChIKeyQDBCFBGXLWUHKG-GQCTYLIASA-N
MW101.15 g/mol
LogP1.06
Rot. Bonds2

About 3-methoxybutan-2-imine

3-methoxybutan-2-imine (PubChem CID 90191917) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-methoxybutan-2-imine.

Molecular Properties

Compound Name3-methoxybutan-2-imine
PubChem CID90191917
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-methoxybutan-2-imine
SMILES[H]/N=C(\C)C(C)OC
InChIInChI=1S/C5H11NO/c1-4(6)5(2)7-3/h5-6H,1-3H3/b6-4+
InChIKeyQDBCFBGXLWUHKG-GQCTYLIASA-N
XLogP1.06
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 51.06
H-Bond Donors ≤ 51
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 3-methoxybutan-2-imine?
The IUPAC name of 3-methoxybutan-2-imine (CID 90191917) is 3-methoxybutan-2-imine.
What is the SMILES notation for 3-methoxybutan-2-imine?
The canonical SMILES for 3-methoxybutan-2-imine is [H]/N=C(\C)C(C)OC.
What is the InChIKey of 3-methoxybutan-2-imine?
The InChIKey is QDBCFBGXLWUHKG-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11NO/c1-4(6)5(2)7-3/h5-6H,1-3H3/b6-4+.
What are the key properties of 3-methoxybutan-2-imine?
3-methoxybutan-2-imine has a molecular weight of 101.15 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybutan-2-imine is sourced from PubChem (CID 90191917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).