1-Naphthaleneacetonitrile, alpha-(2-bis(3-methyl-2-butenyl)amino)ethyl-alpha-methyl-, hydrochloride

HCID 39780

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Basic information

CAS: 50765-77-0
Standard SMILES: CC(C)=CC[NH+](CC=C(C)C)CCC(C)(C#N)c1cccc2ccccc12.[Cl-]
InChIKey: MPNVQOYJNGVWGN-UHFFFAOYSA-N
Molecular formula: C25H33ClN2
Average molar mass: 397 g/mol
Monoisotopic mass: 396.2332268

Names & identifiers

Preferred name: 1-Naphthaleneacetonitrile, alpha-(2-bis(3-methyl-2-butenyl)amino)ethyl-alpha-methyl-, hydrochloride
IUPAC: (3-cyano-3-naphthalen-1-ylbutyl)-bis(3-methylbut-2-enyl)azanium chloride

Names & synonyms

alpha-(2-Diprenylaminoethyl)-alpha-methyl-1-naphthylacetonitrile hydrochloride50765-77-01-Naphthaleneacetonitrile, alpha-(2-bis(3-methyl-2-butenyl)amino)ethyl-alpha-methyl-, hydrochlorideRefChem:232228

Database identifiers

CAS: 50765-77-0
PubChem CID: 39780

Properties

Computed structural properties

Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 550

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