12-(diethylamino)dodec-1-en-1-ol

C16H33NO — CID 142764006

IUPAC12-(diethylamino)dodec-1-en-1-ol
SMILESCCN(CC)CCCCCCCCCCC=CO
InChIInChI=1S/C16H33NO/c1-3-17(4-2)15-13-11-9-7-5-6-8-10-12-14-16-18/h14,16,18H,3-13,15H2,1-2H3
InChIKeyPGRKZYFFIWYNKW-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.91
Rot. Bonds13

About 12-(diethylamino)dodec-1-en-1-ol

12-(diethylamino)dodec-1-en-1-ol (PubChem CID 142764006) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 12-(diethylamino)dodec-1-en-1-ol.

Molecular Properties

Compound Name12-(diethylamino)dodec-1-en-1-ol
PubChem CID142764006
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name12-(diethylamino)dodec-1-en-1-ol
SMILESCCN(CC)CCCCCCCCCCC=CO
InChIInChI=1S/C16H33NO/c1-3-17(4-2)15-13-11-9-7-5-6-8-10-12-14-16-18/h14,16,18H,3-13,15H2,1-2H3
InChIKeyPGRKZYFFIWYNKW-UHFFFAOYSA-N
XLogP4.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 12-(diethylamino)dodec-1-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N,N-diethylheptadec-9-en-1-amine
CID 102116407
(E)-N,N-diethylheptadec-13-en-1-amine
CID 102116411
N,N-diethylicos-9-ene-1,20-diamine
CID 154402145
(E)-N,N-diethylheptadec-4-en-1-amine
CID 102116402
(Z)-18-(diethylamino)octadec-9-enoic acid
CID 87447290
(E)-pentacos-1-en-1-ol
CID 135335589
(Z)-pentadec-1-en-1-ol
CID 135331786
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
octadeca-1,13-dien-1-ol
CID 173121354
(1E)-octadeca-1,11-dien-1-ol
CID 138611647
(Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine
CID 87119903
(1Z,7Z)-trideca-1,7-dien-1-ol
CID 175047617

Frequently Asked Questions

What is the IUPAC name of 12-(diethylamino)dodec-1-en-1-ol?
The IUPAC name of 12-(diethylamino)dodec-1-en-1-ol (CID 142764006) is 12-(diethylamino)dodec-1-en-1-ol.
What is the SMILES notation for 12-(diethylamino)dodec-1-en-1-ol?
The canonical SMILES for 12-(diethylamino)dodec-1-en-1-ol is CCN(CC)CCCCCCCCCCC=CO.
What is the InChIKey of 12-(diethylamino)dodec-1-en-1-ol?
The InChIKey is PGRKZYFFIWYNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-3-17(4-2)15-13-11-9-7-5-6-8-10-12-14-16-18/h14,16,18H,3-13,15H2,1-2H3.
What are the key properties of 12-(diethylamino)dodec-1-en-1-ol?
12-(diethylamino)dodec-1-en-1-ol has a molecular weight of 255.45 g/mol, XLogP of 4.91, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(diethylamino)dodec-1-en-1-ol is sourced from PubChem (CID 142764006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).