2-(methoxyamino)-4-methylpentanal

C7H15NO2 — CID 18004474

IUPAC2-(methoxyamino)-4-methylpentanal
SMILESCONC(C=O)CC(C)C
InChIInChI=1S/C7H15NO2/c1-6(2)4-7(5-9)8-10-3/h5-8H,4H2,1-3H3
InChIKeyUSVDAWSCIXBWJX-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.75
Rot. Bonds5

About 2-(methoxyamino)-4-methylpentanal

2-(methoxyamino)-4-methylpentanal (PubChem CID 18004474) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-(methoxyamino)-4-methylpentanal.

Molecular Properties

Compound Name2-(methoxyamino)-4-methylpentanal
PubChem CID18004474
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-(methoxyamino)-4-methylpentanal
SMILESCONC(C=O)CC(C)C
InChIInChI=1S/C7H15NO2/c1-6(2)4-7(5-9)8-10-3/h5-8H,4H2,1-3H3
InChIKeyUSVDAWSCIXBWJX-UHFFFAOYSA-N
XLogP0.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 2-(methoxyamino)-4-methylpentanal?
The IUPAC name of 2-(methoxyamino)-4-methylpentanal (CID 18004474) is 2-(methoxyamino)-4-methylpentanal.
What is the SMILES notation for 2-(methoxyamino)-4-methylpentanal?
The canonical SMILES for 2-(methoxyamino)-4-methylpentanal is CONC(C=O)CC(C)C.
What is the InChIKey of 2-(methoxyamino)-4-methylpentanal?
The InChIKey is USVDAWSCIXBWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(2)4-7(5-9)8-10-3/h5-8H,4H2,1-3H3.
What are the key properties of 2-(methoxyamino)-4-methylpentanal?
2-(methoxyamino)-4-methylpentanal has a molecular weight of 145.20 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)-4-methylpentanal is sourced from PubChem (CID 18004474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).