N-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine

C7H15NO2 — CID 76880091

IUPACN-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine
SMILESCOC(C)(C)CC(C)=NO
InChIInChI=1S/C7H15NO2/c1-6(8-9)5-7(2,3)10-4/h9H,5H2,1-4H3
InChIKeyXVHQEFBCXJXORP-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.65
Rot. Bonds3

About N-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine

N-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine (PubChem CID 76880091) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine
PubChem CID76880091
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine
SMILESCOC(C)(C)CC(C)=NO
InChIInChI=1S/C7H15NO2/c1-6(8-9)5-7(2,3)10-4/h9H,5H2,1-4H3
InChIKeyXVHQEFBCXJXORP-UHFFFAOYSA-N
XLogP1.65
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine (CID 76880091) is N-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine is COC(C)(C)CC(C)=NO.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine?
The InChIKey is XVHQEFBCXJXORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(8-9)5-7(2,3)10-4/h9H,5H2,1-4H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine?
N-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine has a molecular weight of 145.20 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-ylidene)hydroxylamine is sourced from PubChem (CID 76880091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).