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

C24H49NO — CID 142764002

IUPAC12-(dihexylamino)dodec-1-en-1-ol
SMILESCCCCCCN(CCCCCC)CCCCCCCCCCC=CO
InChIInChI=1S/C24H49NO/c1-3-5-7-17-21-25(22-18-8-6-4-2)23-19-15-13-11-9-10-12-14-16-20-24-26/h20,24,26H,3-19,21-23H2,1-2H3
InChIKeyJEMUUMPAXIFQDN-UHFFFAOYSA-N
MW367.66 g/mol
LogP8.03
Rot. Bonds21

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

12-(dihexylamino)dodec-1-en-1-ol (PubChem CID 142764002) has the molecular formula C24H49NO and a molecular weight of 367.66 g/mol. Its IUPAC name is 12-(dihexylamino)dodec-1-en-1-ol.

Molecular Properties

Compound Name12-(dihexylamino)dodec-1-en-1-ol
PubChem CID142764002
Molecular FormulaC24H49NO
Molecular Weight367.66 g/mol
Exact Mass367.38
IUPAC Name12-(dihexylamino)dodec-1-en-1-ol
SMILESCCCCCCN(CCCCCC)CCCCCCCCCCC=CO
InChIInChI=1S/C24H49NO/c1-3-5-7-17-21-25(22-18-8-6-4-2)23-19-15-13-11-9-10-12-14-16-20-24-26/h20,24,26H,3-19,21-23H2,1-2H3
InChIKeyJEMUUMPAXIFQDN-UHFFFAOYSA-N
XLogP8.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.66
LogP ≤ 58.03
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-(dihexylamino)dodec-1-en-1-ol?
The IUPAC name of 12-(dihexylamino)dodec-1-en-1-ol (CID 142764002) is 12-(dihexylamino)dodec-1-en-1-ol.
What is the SMILES notation for 12-(dihexylamino)dodec-1-en-1-ol?
The canonical SMILES for 12-(dihexylamino)dodec-1-en-1-ol is CCCCCCN(CCCCCC)CCCCCCCCCCC=CO.
What is the InChIKey of 12-(dihexylamino)dodec-1-en-1-ol?
The InChIKey is JEMUUMPAXIFQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO/c1-3-5-7-17-21-25(22-18-8-6-4-2)23-19-15-13-11-9-10-12-14-16-20-24-26/h20,24,26H,3-19,21-23H2,1-2H3.
What are the key properties of 12-(dihexylamino)dodec-1-en-1-ol?
12-(dihexylamino)dodec-1-en-1-ol has a molecular weight of 367.66 g/mol, XLogP of 8.03, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(dihexylamino)dodec-1-en-1-ol is sourced from PubChem (CID 142764002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).