dimethyl(14-phenyltetradecyl)azanium chloride

C22H40ClN — CID 70621589

IUPACdimethyl(14-phenyltetradecyl)azanium chloride
SMILESC[NH+](C)CCCCCCCCCCCCCCc1ccccc1.[Cl-]
InChIInChI=1S/C22H39N.ClH/c1-23(2)21-17-12-10-8-6-4-3-5-7-9-11-14-18-22-19-15-13-16-20-22;/h13,15-16,19-20H,3-12,14,17-18,21H2,1-2H3;1H
InChIKeyHWQOKYFLWRLTSI-UHFFFAOYSA-N
MW354.02 g/mol
LogP2.06
Rot. Bonds15

About dimethyl(14-phenyltetradecyl)azanium chloride

dimethyl(14-phenyltetradecyl)azanium chloride (PubChem CID 70621589) has the molecular formula C22H40ClN and a molecular weight of 354.02 g/mol. Its IUPAC name is dimethyl(14-phenyltetradecyl)azanium chloride.

Molecular Properties

Compound Namedimethyl(14-phenyltetradecyl)azanium chloride
PubChem CID70621589
Molecular FormulaC22H40ClN
Molecular Weight354.02 g/mol
Exact Mass353.28
IUPAC Namedimethyl(14-phenyltetradecyl)azanium chloride
SMILESC[NH+](C)CCCCCCCCCCCCCCc1ccccc1.[Cl-]
InChIInChI=1S/C22H39N.ClH/c1-23(2)21-17-12-10-8-6-4-3-5-7-9-11-14-18-22-19-15-13-16-20-22;/h13,15-16,19-20H,3-12,14,17-18,21H2,1-2H3;1H
InChIKeyHWQOKYFLWRLTSI-UHFFFAOYSA-N
XLogP2.06
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.02
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(14-phenyltetradecyl)azanium chloride?
The IUPAC name of dimethyl(14-phenyltetradecyl)azanium chloride (CID 70621589) is dimethyl(14-phenyltetradecyl)azanium chloride.
What is the SMILES notation for dimethyl(14-phenyltetradecyl)azanium chloride?
The canonical SMILES for dimethyl(14-phenyltetradecyl)azanium chloride is C[NH+](C)CCCCCCCCCCCCCCc1ccccc1.[Cl-].
What is the InChIKey of dimethyl(14-phenyltetradecyl)azanium chloride?
The InChIKey is HWQOKYFLWRLTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N.ClH/c1-23(2)21-17-12-10-8-6-4-3-5-7-9-11-14-18-22-19-15-13-16-20-22;/h13,15-16,19-20H,3-12,14,17-18,21H2,1-2H3;1H.
What are the key properties of dimethyl(14-phenyltetradecyl)azanium chloride?
dimethyl(14-phenyltetradecyl)azanium chloride has a molecular weight of 354.02 g/mol, XLogP of 2.06, 15 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(14-phenyltetradecyl)azanium chloride is sourced from PubChem (CID 70621589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).