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

HCID 3051621

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Basic information

CAS: 67572-04-7
Standard SMILES: CCC(=O)N1C2CCC1CN(CCC(C)(C)OC(N)=O)C2.Cl.Cl
InChIKey: NLGQGCYRAQUKHK-UHFFFAOYSA-N
Molecular formula: C15H29Cl2N3O3
Average molar mass: 370.3 g/mol
Monoisotopic mass: 369.1585972

Names & identifiers

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

Names & synonyms

3-(3-Metil-3-carbamilossi)butil-8-propionil-3,8-diazabiciclo(3.2.1)ottano [Italian]3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, carbamate, dihydrochloride67572-04-73-(3-Metil-3-carbamilossi)butil-8-propionil-3,8-diazabiciclo(3.2.1)ottanoRefChem:272741DTXSID209869332-Methyl-4-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)butan-2-yl hydrogen carbonimidate--hydrogen chloride (1/2)

Database identifiers

CAS: 67572-04-7
PubChem CID: 3051621
DTXSID: DTXSID20986933

Properties

Computed structural properties

Topological polar surface area: 75.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 397

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