(E)-N-methoxy-3-methylbutan-2-imine

C6H13NO — CID 10820502

IUPAC(E)-N-methoxy-3-methylbutan-2-imine
SMILESCO/N=C(\C)C(C)C
InChIInChI=1S/C6H13NO/c1-5(2)6(3)7-8-4/h5H,1-4H3/b7-6+
InChIKeyUUIRXALICSHACV-VOTSOKGWSA-N
MW115.18 g/mol
LogP1.66
Rot. Bonds2

About (E)-N-methoxy-3-methylbutan-2-imine

(E)-N-methoxy-3-methylbutan-2-imine (PubChem CID 10820502) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (E)-N-methoxy-3-methylbutan-2-imine.

Molecular Properties

Compound Name(E)-N-methoxy-3-methylbutan-2-imine
PubChem CID10820502
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(E)-N-methoxy-3-methylbutan-2-imine
SMILESCO/N=C(\C)C(C)C
InChIInChI=1S/C6H13NO/c1-5(2)6(3)7-8-4/h5H,1-4H3/b7-6+
InChIKeyUUIRXALICSHACV-VOTSOKGWSA-N
XLogP1.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.66
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 (E)-N-methoxy-3-methylbutan-2-imine?
The IUPAC name of (E)-N-methoxy-3-methylbutan-2-imine (CID 10820502) is (E)-N-methoxy-3-methylbutan-2-imine.
What is the SMILES notation for (E)-N-methoxy-3-methylbutan-2-imine?
The canonical SMILES for (E)-N-methoxy-3-methylbutan-2-imine is CO/N=C(\C)C(C)C.
What is the InChIKey of (E)-N-methoxy-3-methylbutan-2-imine?
The InChIKey is UUIRXALICSHACV-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)6(3)7-8-4/h5H,1-4H3/b7-6+.
What are the key properties of (E)-N-methoxy-3-methylbutan-2-imine?
(E)-N-methoxy-3-methylbutan-2-imine has a molecular weight of 115.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-3-methylbutan-2-imine is sourced from PubChem (CID 10820502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).