4,11-Diethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane

HCID 10158910
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Basic information

CAS
272457-57-5
Standard SMILES
CCN1CCCN2CCN(CC)CCCN(CC1)CC2
InChIKey
GQYGJYJXYHQAHX-UHFFFAOYSA-N
Molecular formula
C16H34N4
Average molar mass
282.47 g/mol
Monoisotopic mass
282.27834709

Names & identifiers

Preferred name
4,11-Diethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane
IUPAC
4,11-diethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane

Names & synonyms

4,11-Diethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecaneSCHEMBL39002GQYGJYJXYHQAHX-UHFFFAOYSA-NDTXSID601209324272457-57-55,12-diethyl-1,5,8,12-tetraazabicyclo[6.6.2]hexadecane

Database identifiers

CAS
272457-57-5
PubChem CID
10158910
DTXSID
DTXSID601209324
Nikkaji
J2.786.285C

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
13 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

Related reactions

1 records
New reaction record

Compound notes

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CAS 272457-57-5 4,11-Diethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane (HCID 10158910)｜Huagongshe