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

HCID 3051625

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 67572-34-3
Standard SMILES: CCC(=O)N1C2CCC1CN(CCC(C)(C)OC(=O)NC)C2.Cl
InChIKey: PBAFNCBXFCVKRE-UHFFFAOYSA-N
Molecular formula: C16H30ClN3O3
Average molar mass: 347.9 g/mol
Monoisotopic mass: 347.1975695

Names & identifiers

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

Names & synonyms

3-(3-Metil-3-metilcarbamilossi)butil-8-propionil-3,8-diazobiciclo(3.2.1)ottano [Italian]3,8-Diazabicyclo(3.2.1)octane-3-propanol, alpha,alpha-dimethyl-8-propionyl-, methylcarbamate, hydrochloride67572-34-33-(3-Metil-3-metilcarbamilossi)butil-8-propionil-3,8-diazobiciclo(3.2.1)ottanoRefChem:272742DTXSID409869352-Methyl-4-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)butan-2-yl hydrogen methylcarbonimidate--hydrogen chloride (1/1)

Database identifiers

CAS: 67572-34-3
PubChem CID: 3051625
DTXSID: DTXSID40986935

Properties

Computed structural properties

Topological polar surface area: 61.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 23
Formal charge: 0
Complexity: 411

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…