5-(Dimethylamino)-2-(naphthalen-1-yl)-2-(propan-2-yl)pentanenitrile

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Basic information

CAS: 3399-36-8
Standard SMILES: CC(C)C(C#N)(CCCN(C)C)c1cccc2ccccc12
InChIKey: MHHHMEYFZWKUDY-UHFFFAOYSA-N
Molecular formula: C20H26N2
Average molar mass: 294.4 g/mol
Monoisotopic mass: 294.20959884

Names & identifiers

Preferred name: 5-(Dimethylamino)-2-(naphthalen-1-yl)-2-(propan-2-yl)pentanenitrile
IUPAC: 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanenitrile
English name: α-[3-(Dimethylamino)propyl]-α-(1-methylethyl)-1-naphthaleneacetonitrile
Molecular formula: C20H26N2
Molecular weight: 294.43384

Names & synonyms

3399-36-8DTXSID109555725-(Dimethylamino)-2-(naphthalen-1-yl)-2-(propan-2-yl)pentanenitrileRefChem:1072527DTXCID801383562BRN 2149199alpha-(3-(Dimethylamino)propyl)-alpha-isopropyl-1-naphthaleneacetonitrile1-NAPHTHALENEACETONITRILE, alpha-(3-(DIMETHYLAMINO)PROPYL)-alpha-ISOPROPYL-α-[3-(Dimethylamino)propyl]-α-(1-methylethyl)-1-naphthaleneacetonitrile

Database identifiers

CAS: 3399-36-8
PubChem CID: 18836
DTXSID: DTXSID10955572
Nikkaji: J42.409I

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 27 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 392

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Compound notes

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