N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine

C9H21NO2 — CID 88535537

IUPACN-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine
SMILESCC(C)(CCOC(C)(C)C)NO
InChIInChI=1S/C9H21NO2/c1-8(2,3)12-7-6-9(4,5)10-11/h10-11H,6-7H2,1-5H3
InChIKeyAAPHAAGLLBFEKQ-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.95
Rot. Bonds4

About N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine

N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine (PubChem CID 88535537) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine
PubChem CID88535537
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC NameN-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine
SMILESCC(C)(CCOC(C)(C)C)NO
InChIInChI=1S/C9H21NO2/c1-8(2,3)12-7-6-9(4,5)10-11/h10-11H,6-7H2,1-5H3
InChIKeyAAPHAAGLLBFEKQ-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.95
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-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine?
The IUPAC name of N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine (CID 88535537) is N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine.
What is the SMILES notation for N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine?
The canonical SMILES for N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine is CC(C)(CCOC(C)(C)C)NO.
What is the InChIKey of N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine?
The InChIKey is AAPHAAGLLBFEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(2,3)12-7-6-9(4,5)10-11/h10-11H,6-7H2,1-5H3.
What are the key properties of N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine?
N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine has a molecular weight of 175.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]hydroxylamine is sourced from PubChem (CID 88535537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).