dimethyl(1-phenylnonadecyl)azanium chloride

C27H50ClN — CID 22178529

IUPACdimethyl(1-phenylnonadecyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCCC(c1ccccc1)[NH+](C)C.[Cl-]
InChIInChI=1S/C27H49N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-27(28(2)3)26-23-20-19-21-24-26;/h19-21,23-24,27H,4-18,22,25H2,1-3H3;1H
InChIKeyOWMCVSMNPFSHPF-UHFFFAOYSA-N
MW424.16 g/mol
LogP4.53
Rot. Bonds19

About dimethyl(1-phenylnonadecyl)azanium chloride

dimethyl(1-phenylnonadecyl)azanium chloride (PubChem CID 22178529) has the molecular formula C27H50ClN and a molecular weight of 424.16 g/mol. Its IUPAC name is dimethyl(1-phenylnonadecyl)azanium chloride.

Molecular Properties

Compound Namedimethyl(1-phenylnonadecyl)azanium chloride
PubChem CID22178529
Molecular FormulaC27H50ClN
Molecular Weight424.16 g/mol
Exact Mass423.36
IUPAC Namedimethyl(1-phenylnonadecyl)azanium chloride
SMILESCCCCCCCCCCCCCCCCCCC(c1ccccc1)[NH+](C)C.[Cl-]
InChIInChI=1S/C27H49N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-27(28(2)3)26-23-20-19-21-24-26;/h19-21,23-24,27H,4-18,22,25H2,1-3H3;1H
InChIKeyOWMCVSMNPFSHPF-UHFFFAOYSA-N
XLogP4.53
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.16
LogP ≤ 54.53
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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Related Compounds

icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
(1R)-1-phenyloctan-1-ol
CID 12794259
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
1-phenyldecan-1-amine
CID 43175860
1-phenylheptylphosphane
CID 174874892
1-phenylundecan-2-ylbenzene
CID 22919994
(1-bromo-2-methylnonyl)benzene
CID 104846505
trimethyl(1-phenyloctadecyl)azanium chloride
CID 21424302
1-phenyltridecan-2-ylbenzene
CID 22919631
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
2-(1-phenylnonyl)phenol
CID 67177643

Frequently Asked Questions

What is the IUPAC name of dimethyl(1-phenylnonadecyl)azanium chloride?
The IUPAC name of dimethyl(1-phenylnonadecyl)azanium chloride (CID 22178529) is dimethyl(1-phenylnonadecyl)azanium chloride.
What is the SMILES notation for dimethyl(1-phenylnonadecyl)azanium chloride?
The canonical SMILES for dimethyl(1-phenylnonadecyl)azanium chloride is CCCCCCCCCCCCCCCCCCC(c1ccccc1)[NH+](C)C.[Cl-].
What is the InChIKey of dimethyl(1-phenylnonadecyl)azanium chloride?
The InChIKey is OWMCVSMNPFSHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H49N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-27(28(2)3)26-23-20-19-21-24-26;/h19-21,23-24,27H,4-18,22,25H2,1-3H3;1H.
What are the key properties of dimethyl(1-phenylnonadecyl)azanium chloride?
dimethyl(1-phenylnonadecyl)azanium chloride has a molecular weight of 424.16 g/mol, XLogP of 4.53, 19 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(1-phenylnonadecyl)azanium chloride is sourced from PubChem (CID 22178529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).