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

C20H41NO — CID 142764001

IUPAC12-(dibutylamino)dodec-1-en-1-ol
SMILESCCCCN(CCCC)CCCCCCCCCCC=CO
InChIInChI=1S/C20H41NO/c1-3-5-17-21(18-6-4-2)19-15-13-11-9-7-8-10-12-14-16-20-22/h16,20,22H,3-15,17-19H2,1-2H3
InChIKeyOGUYZHAQJCWHGT-UHFFFAOYSA-N
MW311.55 g/mol
LogP6.47
Rot. Bonds17

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

12-(dibutylamino)dodec-1-en-1-ol (PubChem CID 142764001) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 12-(dibutylamino)dodec-1-en-1-ol.

Molecular Properties

Compound Name12-(dibutylamino)dodec-1-en-1-ol
PubChem CID142764001
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name12-(dibutylamino)dodec-1-en-1-ol
SMILESCCCCN(CCCC)CCCCCCCCCCC=CO
InChIInChI=1S/C20H41NO/c1-3-5-17-21(18-6-4-2)19-15-13-11-9-7-8-10-12-14-16-20-22/h16,20,22H,3-15,17-19H2,1-2H3
InChIKeyOGUYZHAQJCWHGT-UHFFFAOYSA-N
XLogP6.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 56.47
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'}

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Frequently Asked Questions

What is the IUPAC name of 12-(dibutylamino)dodec-1-en-1-ol?
The IUPAC name of 12-(dibutylamino)dodec-1-en-1-ol (CID 142764001) is 12-(dibutylamino)dodec-1-en-1-ol.
What is the SMILES notation for 12-(dibutylamino)dodec-1-en-1-ol?
The canonical SMILES for 12-(dibutylamino)dodec-1-en-1-ol is CCCCN(CCCC)CCCCCCCCCCC=CO.
What is the InChIKey of 12-(dibutylamino)dodec-1-en-1-ol?
The InChIKey is OGUYZHAQJCWHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-3-5-17-21(18-6-4-2)19-15-13-11-9-7-8-10-12-14-16-20-22/h16,20,22H,3-15,17-19H2,1-2H3.
What are the key properties of 12-(dibutylamino)dodec-1-en-1-ol?
12-(dibutylamino)dodec-1-en-1-ol has a molecular weight of 311.55 g/mol, XLogP of 6.47, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(dibutylamino)dodec-1-en-1-ol is sourced from PubChem (CID 142764001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).