3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, propionate

HCID 3051619

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Basic information

CAS: 67571-99-7
Standard SMILES: CCC(=O)OC(C)(C)CCN1CC2CCC(C1)N2C(=O)CC
InChIKey: GPVHHBJNESWWFS-UHFFFAOYSA-N
Molecular formula: C17H30N2O3
Average molar mass: 310.4 g/mol
Monoisotopic mass: 310.22564282

Names & identifiers

Preferred name: 3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, propionate
IUPAC: [2-methyl-4-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)butan-2-yl] propanoate

Names & synonyms

BRN 0548993alpha,alpha-Dimethyl-8-propionyl-3,8-diazabicyclo(3.2.1)octane-3-propanol propionate67571-99-73,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, propionate3-(3-Propionilossi-3-metil)butil-8-propionil-3,8-diazabiciclo(3.2.1)ottano [Italian]3-(3-Propionilossi-3-metil)butil-8-propionil-3,8-diazabiciclo(3.2.1)ottanoRefChem:272744DTXSID009869312-Methyl-4-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)butan-2-yl propanoate

Database identifiers

CAS: 67571-99-7
PubChem CID: 3051619
DTXSID: DTXSID00986931
Nikkaji: J68.480E

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 49.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 408

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