Adamantane, 1,3-bis(2-methylaminopropyl)-

HCID 48381

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Basic information

CAS: 66922-78-9
Standard SMILES: CNC(C)CC12CC3CC(C1)CC(CC(C)NC)(C3)C2.Cl.Cl
InChIKey: PJQYQDGZSCNFHH-UHFFFAOYSA-N
Molecular formula: C18H36Cl2N2
Average molar mass: 351.4 g/mol
Monoisotopic mass: 350.2255545

Names & identifiers

Preferred name: Adamantane, 1,3-bis(2-methylaminopropyl)-
IUPAC: N-methyl-1-[3-[2-(methylamino)propyl]-1-adamantyl]propan-2-amine;dihydrochloride

Names & synonyms

ADAMANTANE, 1,3-BIS(2-METHYLAMINOPROPYL)-2-Propylamine, N-methyl-1-((2-methylamino-2-methyl)ethyl-1-adamantyl)-, dihydrochloride66922-78-9RefChem:317210DTXSID509855901,1'-(Tricyclo[3.3.1.1~3,7~]decane-1,3-diyl)bis(N-methylpropan-2-amine)--hydrogen chloride (1/2)

Database identifiers

CAS: 66922-78-9
PubChem CID: 48381
DTXSID: DTXSID50985590

Properties

Computed structural properties

Topological polar surface area: 24.1 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 307

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