N-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine

C8H18BrNO — CID 89245966

IUPACN-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine
SMILESCCCC(Br)C(C)(C)N(C)O
InChIInChI=1S/C8H18BrNO/c1-5-6-7(9)8(2,3)10(4)11/h7,11H,5-6H2,1-4H3
InChIKeyIVFYTERWFCUGDE-UHFFFAOYSA-N
MW224.14 g/mol
LogP2.65
Rot. Bonds4

About N-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine

N-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine (PubChem CID 89245966) has the molecular formula C8H18BrNO and a molecular weight of 224.14 g/mol. Its IUPAC name is N-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine.

Molecular Properties

Compound NameN-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine
PubChem CID89245966
Molecular FormulaC8H18BrNO
Molecular Weight224.14 g/mol
Exact Mass223.06
IUPAC NameN-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine
SMILESCCCC(Br)C(C)(C)N(C)O
InChIInChI=1S/C8H18BrNO/c1-5-6-7(9)8(2,3)10(4)11/h7,11H,5-6H2,1-4H3
InChIKeyIVFYTERWFCUGDE-UHFFFAOYSA-N
XLogP2.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-tribromo-1,2-dichlorohexane
CID 54426648
N,N-dihydroxypentan-2-amine
CID 87329779
3-bromo-2-methylheptadecan-2-ol
CID 141275323
(3R)-2,2-dimethylhexan-3-ol
CID 7004855
(2S)-2-bromopentan-1-ol
CID 101373163
(2R)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpentanamide
CID 107570627
N,N,2,2,3-pentamethylhexanamide
CID 20824927
2,2,3-tribromodecan-1-ol
CID 141280818
(4S,5S)-5-bromooctan-4-ol
CID 101139699
2-methyl-2-(methylamino)-4-[methyl(pentan-2-yl)amino]pentan-1-ol
CID 64797735
tert-butyl N-methyl-N-(3-propylhexyl)carbamate
CID 139566665
1-bromobutylsilane
CID 174507428

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine?
The IUPAC name of N-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine (CID 89245966) is N-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine.
What is the SMILES notation for N-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine?
The canonical SMILES for N-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine is CCCC(Br)C(C)(C)N(C)O.
What is the InChIKey of N-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine?
The InChIKey is IVFYTERWFCUGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO/c1-5-6-7(9)8(2,3)10(4)11/h7,11H,5-6H2,1-4H3.
What are the key properties of N-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine?
N-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine has a molecular weight of 224.14 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylhexan-2-yl)-N-methylhydroxylamine is sourced from PubChem (CID 89245966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).