1-methoxy-N-(2-methylpropyl)propan-2-imine

C8H17NO — CID 14242576

IUPAC1-methoxy-N-(2-methylpropyl)propan-2-imine
SMILESCOC/C(C)=N/CC(C)C
InChIInChI=1S/C8H17NO/c1-7(2)5-9-8(3)6-10-4/h7H,5-6H2,1-4H3/b9-8+
InChIKeyOFOCOHGUIPCXEB-CMDGGOBGSA-N
MW143.23 g/mol
LogP1.75
Rot. Bonds4

About 1-methoxy-N-(2-methylpropyl)propan-2-imine

1-methoxy-N-(2-methylpropyl)propan-2-imine (PubChem CID 14242576) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-methoxy-N-(2-methylpropyl)propan-2-imine.

Molecular Properties

Compound Name1-methoxy-N-(2-methylpropyl)propan-2-imine
PubChem CID14242576
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-methoxy-N-(2-methylpropyl)propan-2-imine
SMILESCOC/C(C)=N/CC(C)C
InChIInChI=1S/C8H17NO/c1-7(2)5-9-8(3)6-10-4/h7H,5-6H2,1-4H3/b9-8+
InChIKeyOFOCOHGUIPCXEB-CMDGGOBGSA-N
XLogP1.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.75
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 1-methoxy-N-(2-methylpropyl)propan-2-imine?
The IUPAC name of 1-methoxy-N-(2-methylpropyl)propan-2-imine (CID 14242576) is 1-methoxy-N-(2-methylpropyl)propan-2-imine.
What is the SMILES notation for 1-methoxy-N-(2-methylpropyl)propan-2-imine?
The canonical SMILES for 1-methoxy-N-(2-methylpropyl)propan-2-imine is COC/C(C)=N/CC(C)C.
What is the InChIKey of 1-methoxy-N-(2-methylpropyl)propan-2-imine?
The InChIKey is OFOCOHGUIPCXEB-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(2)5-9-8(3)6-10-4/h7H,5-6H2,1-4H3/b9-8+.
What are the key properties of 1-methoxy-N-(2-methylpropyl)propan-2-imine?
1-methoxy-N-(2-methylpropyl)propan-2-imine has a molecular weight of 143.23 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(2-methylpropyl)propan-2-imine is sourced from PubChem (CID 14242576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).