[(E)-dodec-2-enyl]-trimethylazanium chloride

C15H32ClN — CID 19848238

IUPAC[(E)-dodec-2-enyl]-trimethylazanium chloride
SMILESCCCCCCCCC/C=C/C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C15H32N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h13-14H,5-12,15H2,1-4H3;1H/q+1;/p-1/b14-13+;
InChIKeyZUYYVUUIUYWWNH-IERUDJENSA-M
MW261.88 g/mol
LogP1.39
Rot. Bonds10

About [(E)-dodec-2-enyl]-trimethylazanium chloride

[(E)-dodec-2-enyl]-trimethylazanium chloride (PubChem CID 19848238) has the molecular formula C15H32ClN and a molecular weight of 261.88 g/mol. Its IUPAC name is [(E)-dodec-2-enyl]-trimethylazanium chloride.

Molecular Properties

Compound Name[(E)-dodec-2-enyl]-trimethylazanium chloride
PubChem CID19848238
Molecular FormulaC15H32ClN
Molecular Weight261.88 g/mol
Exact Mass261.22
IUPAC Name[(E)-dodec-2-enyl]-trimethylazanium chloride
SMILESCCCCCCCCC/C=C/C[N+](C)(C)C.[Cl-]
InChIInChI=1S/C15H32N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h13-14H,5-12,15H2,1-4H3;1H/q+1;/p-1/b14-13+;
InChIKeyZUYYVUUIUYWWNH-IERUDJENSA-M
XLogP1.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.88
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(E)-octadec-2-enyl]azanium bromide
CID 19848237
trimethyl-[(E)-oct-2-enyl]azanium bromide
CID 19848208
dimethyl-bis[(E)-oct-2-enyl]azanium
CID 102116304
N,N-dimethylpentadec-2-en-1-amine oxide
CID 175129932
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710

Frequently Asked Questions

What is the IUPAC name of [(E)-dodec-2-enyl]-trimethylazanium chloride?
The IUPAC name of [(E)-dodec-2-enyl]-trimethylazanium chloride (CID 19848238) is [(E)-dodec-2-enyl]-trimethylazanium chloride.
What is the SMILES notation for [(E)-dodec-2-enyl]-trimethylazanium chloride?
The canonical SMILES for [(E)-dodec-2-enyl]-trimethylazanium chloride is CCCCCCCCC/C=C/C[N+](C)(C)C.[Cl-].
What is the InChIKey of [(E)-dodec-2-enyl]-trimethylazanium chloride?
The InChIKey is ZUYYVUUIUYWWNH-IERUDJENSA-M. The full InChI is InChI=1S/C15H32N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h13-14H,5-12,15H2,1-4H3;1H/q+1;/p-1/b14-13+;.
What are the key properties of [(E)-dodec-2-enyl]-trimethylazanium chloride?
[(E)-dodec-2-enyl]-trimethylazanium chloride has a molecular weight of 261.88 g/mol, XLogP of 1.39, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dodec-2-enyl]-trimethylazanium chloride is sourced from PubChem (CID 19848238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).