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IMPPAT Phytochemical information:
N,N-Dimethyldodecylamine
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016770
Phytochemical name:
N,N-Dimethyldodecylamine
Synonymous chemical names:
n,n-dimethyl-dodecylamine
External chemical identifiers:
CID:8168
,
ChEMBL:CHEMBL109737
,
ZINC:ZINC000001687260
,
FDASRS:6V2OM30I1Z
,
SureChEMBL:SCHEMBL107058
,
MolPort-003-929-206
Chemical structure information
SMILES:
CCCCCCCCCCCCN(C)C
InChI:
InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3
InChIKey:
YWFWDNVOPHGWMX-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCNC)C
Functional groups:
CN(C)C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic nitrogen compounds
ClassyFire Class:
Organonitrogen compounds
ClassyFire Subclass:
Amines
NP Classifier Biosynthetic pathway:
Fatty acids
NP-Likeness score:
-0.202
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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