2-Butan-2-yl-1-nitrosopiperidine

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Basic information

CAS: 75101-89-2
Standard SMILES: CCC(C)C1CCCCN1N=O
InChIKey: MQNUPEOFCXYYCM-UHFFFAOYSA-N
Molecular formula: C9H18N2O
Average molar mass: 170.25 g/mol
Monoisotopic mass: 170.1419132

Names & identifiers

Preferred name: 2-Butan-2-yl-1-nitrosopiperidine
IUPAC: 2-butan-2-yl-1-nitrosopiperidine

Names & synonyms

75101-89-22-Butan-2-yl-1-nitrosopiperidineDTXSID209965972-(sec-Butyl)-1-nitrosopiperidine2-(butan-2-yl)-1-nitrosopiperidine2-(1-methylpropyl)-1-nitroso-Piperidine

Database identifiers

CAS: 75101-89-2
PubChem CID: 186909
DTXSID: DTXSID20996597

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 149

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Compound notes

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