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

HCID 372702
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Basic information

CAS
130434-62-7
Standard SMILES
CN1CCCN2CCN(C)CCCN(CC1)CC2
InChIKey
NJMWXCOSLAUOGE-UHFFFAOYSA-N
Molecular formula
C14H30N4
Average molar mass
254.42 g/mol
Monoisotopic mass
254.24704696

Names & identifiers

Preferred name
4,11-Dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane
IUPAC
4,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane

Names & synonyms

4,11-Dimethyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane130434-62-7NSC648262SCHEMBL139241CHEMBL19987744,11-dimethyl-1,4,8,11-tetrazabicyclo[6.6.2]hexadecaneNJMWXCOSLAUOGE-UHFFFAOYSA-N5,12-dimethyl-1,5,8,12-tetraazabicyclo[6.6.2]hexadecaneDTXSID901205252NSC-648262NCI60_016732

Database identifiers

CAS
130434-62-7
PubChem CID
372702
DTXSID
DTXSID901205252
ChEMBL
CHEMBL1998774
EC Number
603-418-7
Nikkaji
J998.024E

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
13 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
18

Related reactions

1 records
New reaction record

Compound notes

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