O-(3,3,5-trimethylhexan-2-yl)hydroxylamine

C9H21NO — CID 59956878

IUPACO-(3,3,5-trimethylhexan-2-yl)hydroxylamine
SMILESCC(C)CC(C)(C)C(C)ON
InChIInChI=1S/C9H21NO/c1-7(2)6-9(4,5)8(3)11-10/h7-8H,6,10H2,1-5H3
InChIKeyOAJVHMQGBHLVNA-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.34
Rot. Bonds4

About O-(3,3,5-trimethylhexan-2-yl)hydroxylamine

O-(3,3,5-trimethylhexan-2-yl)hydroxylamine (PubChem CID 59956878) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is O-(3,3,5-trimethylhexan-2-yl)hydroxylamine.

Molecular Properties

Compound NameO-(3,3,5-trimethylhexan-2-yl)hydroxylamine
PubChem CID59956878
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameO-(3,3,5-trimethylhexan-2-yl)hydroxylamine
SMILESCC(C)CC(C)(C)C(C)ON
InChIInChI=1S/C9H21NO/c1-7(2)6-9(4,5)8(3)11-10/h7-8H,6,10H2,1-5H3
InChIKeyOAJVHMQGBHLVNA-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.34
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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Related Compounds

2,4,4,5,6-pentamethyloctane
CID 57491109
O-(3,3,5-trimethyl-6-phenoxyhexan-2-yl)hydroxylamine
CID 59956887
1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol
CID 126671106
2,4,4,6-tetramethyl-5-propyloctane
CID 123721040
2,4,4,6-tetramethyl-3-propan-2-ylheptane
CID 57492978
2,2,3,4,4,6-hexamethylheptane
CID 57491289
2,4-dimethylpentan-2-yl 2-methylbutanoate
CID 121443885
2,4-dimethylpentan-2-yl 2-methylpropanoate
CID 58385667
1,3-dimethoxypropane;2,3,3,5-tetramethylhexane
CID 175249202
1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol
CID 123209317
2-methylpropan-1-ol;2,2,4-trimethylpentane-1,1-diol
CID 172688938
3-ethyl-3,5-dimethylhexan-2-amine
CID 146359872

Frequently Asked Questions

What is the IUPAC name of O-(3,3,5-trimethylhexan-2-yl)hydroxylamine?
The IUPAC name of O-(3,3,5-trimethylhexan-2-yl)hydroxylamine (CID 59956878) is O-(3,3,5-trimethylhexan-2-yl)hydroxylamine.
What is the SMILES notation for O-(3,3,5-trimethylhexan-2-yl)hydroxylamine?
The canonical SMILES for O-(3,3,5-trimethylhexan-2-yl)hydroxylamine is CC(C)CC(C)(C)C(C)ON.
What is the InChIKey of O-(3,3,5-trimethylhexan-2-yl)hydroxylamine?
The InChIKey is OAJVHMQGBHLVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)6-9(4,5)8(3)11-10/h7-8H,6,10H2,1-5H3.
What are the key properties of O-(3,3,5-trimethylhexan-2-yl)hydroxylamine?
O-(3,3,5-trimethylhexan-2-yl)hydroxylamine has a molecular weight of 159.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3,3,5-trimethylhexan-2-yl)hydroxylamine is sourced from PubChem (CID 59956878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).