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

C7H17NO2 — CID 82684700

IUPACN-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
SMILESCOC(C)(C)CC(C)NO
InChIInChI=1S/C7H17NO2/c1-6(8-9)5-7(2,3)10-4/h6,8-9H,5H2,1-4H3
InChIKeyLNPSDFFCWNEORU-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.17
Rot. Bonds4

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

N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine (PubChem CID 82684700) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
PubChem CID82684700
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
SMILESCOC(C)(C)CC(C)NO
InChIInChI=1S/C7H17NO2/c1-6(8-9)5-7(2,3)10-4/h6,8-9H,5H2,1-4H3
InChIKeyLNPSDFFCWNEORU-UHFFFAOYSA-N
XLogP1.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine (CID 82684700) is N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine is COC(C)(C)CC(C)NO.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine?
The InChIKey is LNPSDFFCWNEORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(8-9)5-7(2,3)10-4/h6,8-9H,5H2,1-4H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine?
N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine has a molecular weight of 147.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine is sourced from PubChem (CID 82684700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).