O-(3-methylhexan-3-yl)hydroxylamine

C7H17NO — CID 163872522

IUPACO-(3-methylhexan-3-yl)hydroxylamine
SMILESCCCC(C)(CC)ON
InChIInChI=1S/C7H17NO/c1-4-6-7(3,5-2)9-8/h4-6,8H2,1-3H3
InChIKeyPMBWLAUBWFMAGY-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.85
Rot. Bonds4

About O-(3-methylhexan-3-yl)hydroxylamine

O-(3-methylhexan-3-yl)hydroxylamine (PubChem CID 163872522) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is O-(3-methylhexan-3-yl)hydroxylamine.

Molecular Properties

Compound NameO-(3-methylhexan-3-yl)hydroxylamine
PubChem CID163872522
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC NameO-(3-methylhexan-3-yl)hydroxylamine
SMILESCCCC(C)(CC)ON
InChIInChI=1S/C7H17NO/c1-4-6-7(3,5-2)9-8/h4-6,8H2,1-3H3
InChIKeyPMBWLAUBWFMAGY-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 O-(3-methylhexan-3-yl)hydroxylamine?
The IUPAC name of O-(3-methylhexan-3-yl)hydroxylamine (CID 163872522) is O-(3-methylhexan-3-yl)hydroxylamine.
What is the SMILES notation for O-(3-methylhexan-3-yl)hydroxylamine?
The canonical SMILES for O-(3-methylhexan-3-yl)hydroxylamine is CCCC(C)(CC)ON.
What is the InChIKey of O-(3-methylhexan-3-yl)hydroxylamine?
The InChIKey is PMBWLAUBWFMAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-4-6-7(3,5-2)9-8/h4-6,8H2,1-3H3.
What are the key properties of O-(3-methylhexan-3-yl)hydroxylamine?
O-(3-methylhexan-3-yl)hydroxylamine has a molecular weight of 131.22 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-methylhexan-3-yl)hydroxylamine is sourced from PubChem (CID 163872522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).