dodec-1-en-3-yl(trimethyl)azanium chloride

C15H32ClN — CID 19848206

IUPACdodec-1-en-3-yl(trimethyl)azanium chloride
SMILESC=CC(CCCCCCCCC)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C15H32N.ClH/c1-6-8-9-10-11-12-13-14-15(7-2)16(3,4)5;/h7,15H,2,6,8-14H2,1,3-5H3;1H/q+1;/p-1
InChIKeyHIRNXSRSIKYBFC-UHFFFAOYSA-M
MW261.88 g/mol
LogP1.39
Rot. Bonds10

About dodec-1-en-3-yl(trimethyl)azanium chloride

dodec-1-en-3-yl(trimethyl)azanium chloride (PubChem CID 19848206) has the molecular formula C15H32ClN and a molecular weight of 261.88 g/mol. Its IUPAC name is dodec-1-en-3-yl(trimethyl)azanium chloride.

Molecular Properties

Compound Namedodec-1-en-3-yl(trimethyl)azanium chloride
PubChem CID19848206
Molecular FormulaC15H32ClN
Molecular Weight261.88 g/mol
Exact Mass261.22
IUPAC Namedodec-1-en-3-yl(trimethyl)azanium chloride
SMILESC=CC(CCCCCCCCC)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C15H32N.ClH/c1-6-8-9-10-11-12-13-14-15(7-2)16(3,4)5;/h7,15H,2,6,8-14H2,1,3-5H3;1H/q+1;/p-1
InChIKeyHIRNXSRSIKYBFC-UHFFFAOYSA-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

heptadec-1-en-3-yl(trimethyl)azanium
CID 175545387
2-ethylhexyl-henicos-1-en-3-yl-dimethylazanium chloride
CID 174684458
azane;benzyl-dimethyl-tetradec-1-en-3-ylazanium;chloride;hydrochloride
CID 174941598
3-ethenylnon-1-ene
CID 123641938
trimethyl(octadecan-9-yl)azanium chloride
CID 86184812
10-ethenylnonadecane
CID 57244946
benzyl-hexadec-1-en-3-yl-dimethylazanium bromide
CID 141427408
decan-2-yl(trimethyl)azanium chloride
CID 174768597
icosan-2-yl(trimethyl)azanium chloride
CID 139396717
ethane;9-ethenylheptadecane;octane
CID 168985515
heptadec-1-en-3-ol
CID 11858939
undec-1-en-3-ol
CID 3015762

Frequently Asked Questions

What is the IUPAC name of dodec-1-en-3-yl(trimethyl)azanium chloride?
The IUPAC name of dodec-1-en-3-yl(trimethyl)azanium chloride (CID 19848206) is dodec-1-en-3-yl(trimethyl)azanium chloride.
What is the SMILES notation for dodec-1-en-3-yl(trimethyl)azanium chloride?
The canonical SMILES for dodec-1-en-3-yl(trimethyl)azanium chloride is C=CC(CCCCCCCCC)[N+](C)(C)C.[Cl-].
What is the InChIKey of dodec-1-en-3-yl(trimethyl)azanium chloride?
The InChIKey is HIRNXSRSIKYBFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H32N.ClH/c1-6-8-9-10-11-12-13-14-15(7-2)16(3,4)5;/h7,15H,2,6,8-14H2,1,3-5H3;1H/q+1;/p-1.
What are the key properties of dodec-1-en-3-yl(trimethyl)azanium chloride?
dodec-1-en-3-yl(trimethyl)azanium 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 dodec-1-en-3-yl(trimethyl)azanium chloride is sourced from PubChem (CID 19848206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).