(NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine

C6H12BrNO — CID 12555835

IUPAC(NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine
SMILESCC(C)(C)/C(CBr)=N/O
InChIInChI=1S/C6H12BrNO/c1-6(2,3)5(4-7)8-9/h9H,4H2,1-3H3/b8-5+
InChIKeyZBQVPNUHRRVWDF-VMPITWQZSA-N
MW194.07 g/mol
LogP2.26
Rot. Bonds1

About (NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine

(NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine (PubChem CID 12555835) has the molecular formula C6H12BrNO and a molecular weight of 194.07 g/mol. Its IUPAC name is (NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine
PubChem CID12555835
Molecular FormulaC6H12BrNO
Molecular Weight194.07 g/mol
Exact Mass193.01
IUPAC Name(NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine
SMILESCC(C)(C)/C(CBr)=N/O
InChIInChI=1S/C6H12BrNO/c1-6(2,3)5(4-7)8-9/h9H,4H2,1-3H3/b8-5+
InChIKeyZBQVPNUHRRVWDF-VMPITWQZSA-N
XLogP2.26
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,5,5-tetramethylhexan-3-ylidene)hydroxylamine
CID 59921179
(NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 55301431
1-bromo-N-cyclohexyl-3,3-dimethylbutan-2-imine
CID 15255273
(NE)-N-[3,3-dimethyl-1-(trifluoromethylsulfanyl)butan-2-ylidene]hydroxylamine
CID 88844022
(NE)-N-[3,3-dimethyl-1-(1,2,4-triazol-4-yl)butan-2-ylidene]hydroxylamine
CID 88747848
(2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol
CID 55290819
N-[5-[2-(didecylamino)ethylimino]-2,2-dimethylhexan-3-ylidene]hydroxylamine
CID 152511166
(E)-5-(bromomethyl)-2,2,6,6-tetramethylhept-4-en-3-one
CID 86767328
2-(bromomethyl)-3,3-dimethylbut-1-en-1-one
CID 141406316
(E)-N-methoxy-2,2-dimethylpentan-3-imine
CID 122659260
N-(2,3,3-trimethyloctan-4-ylidene)hydroxylamine
CID 155617632
N'-hydroxy-N,N,2,2-tetramethylpropanimidamide
CID 167525421

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine (CID 12555835) is (NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine is CC(C)(C)/C(CBr)=N/O.
What is the InChIKey of (NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine?
The InChIKey is ZBQVPNUHRRVWDF-VMPITWQZSA-N. The full InChI is InChI=1S/C6H12BrNO/c1-6(2,3)5(4-7)8-9/h9H,4H2,1-3H3/b8-5+.
What are the key properties of (NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine?
(NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine has a molecular weight of 194.07 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine is sourced from PubChem (CID 12555835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).