N-methoxy-2-methylpentan-3-imine

C7H15NO — CID 72584290

IUPACN-methoxy-2-methylpentan-3-imine
SMILESCCC(=NOC)C(C)C
InChIInChI=1S/C7H15NO/c1-5-7(6(2)3)8-9-4/h6H,5H2,1-4H3
InChIKeyIAQVXFKAJHNXMK-UHFFFAOYSA-N
MW129.20 g/mol
LogP2.05
Rot. Bonds3

About N-methoxy-2-methylpentan-3-imine

N-methoxy-2-methylpentan-3-imine (PubChem CID 72584290) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-methoxy-2-methylpentan-3-imine.

Molecular Properties

Compound NameN-methoxy-2-methylpentan-3-imine
PubChem CID72584290
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-methoxy-2-methylpentan-3-imine
SMILESCCC(=NOC)C(C)C
InChIInChI=1S/C7H15NO/c1-5-7(6(2)3)8-9-4/h6H,5H2,1-4H3
InChIKeyIAQVXFKAJHNXMK-UHFFFAOYSA-N
XLogP2.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 52.05
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 N-methoxy-2-methylpentan-3-imine?
The IUPAC name of N-methoxy-2-methylpentan-3-imine (CID 72584290) is N-methoxy-2-methylpentan-3-imine.
What is the SMILES notation for N-methoxy-2-methylpentan-3-imine?
The canonical SMILES for N-methoxy-2-methylpentan-3-imine is CCC(=NOC)C(C)C.
What is the InChIKey of N-methoxy-2-methylpentan-3-imine?
The InChIKey is IAQVXFKAJHNXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-7(6(2)3)8-9-4/h6H,5H2,1-4H3.
What are the key properties of N-methoxy-2-methylpentan-3-imine?
N-methoxy-2-methylpentan-3-imine has a molecular weight of 129.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-methylpentan-3-imine is sourced from PubChem (CID 72584290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).