3-Azabicyclo(3.2.1)octane-2,4-dione, 3-(4-(diethylamino)-2-butynyl)-1,8,8-trimethyl-

HCID 39550

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Basic information

CAS: 49832-48-6
Standard SMILES: CCN(CC)CC#CCN1C(=O)C2CCC(C)(C1=O)C2(C)C
InChIKey: VLUULYNEBTVMAG-UHFFFAOYSA-N
Molecular formula: C18H28N2O2
Average molar mass: 304.4 g/mol
Monoisotopic mass: 304.21507814

Names & identifiers

Preferred name: 3-Azabicyclo(3.2.1)octane-2,4-dione, 3-(4-(diethylamino)-2-butynyl)-1,8,8-trimethyl-
IUPAC: 3-[4-(diethylamino)but-2-ynyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
English name: 3-[4-(Diethylamino)-2-butynyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
Molecular formula: C18H28N2O2
Molecular weight: 304.43

Names & synonyms

49832-48-6BRN 14868853-(4-(Diethylamino)-2-butynyl)-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane-2,4-dione3-Azabicyclo(3.2.1)octane-2,4-dione, 3-(4-(diethylamino)-2-butynyl)-1,8,8-trimethyl-3-[4-(Diethylamino)-2-butynyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dioneRefChem:276754DTXSID209644333-[4-(Diethylamino)but-2-yn-1-yl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione3-Azabicyclo[3.2.1]octane-2,4-dione, 3-[4-(diethylamino)-2-butyn-1-yl]-1,8,8-trimethyl-

Database identifiers

CAS: 49832-48-6
PubChem CID: 39550
DTXSID: DTXSID20964433
Nikkaji: J62.357A

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 40.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 536

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