lithium;benzyl-dimethyl-octadecylazanium;hydride

C27H51LiN+ — CID 174582976

IUPAClithium;benzyl-dimethyl-octadecylazanium;hydride
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[H-].[Li+]
InChIInChI=1S/C27H50N.Li.H/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;;/q2*+1;-1
InChIKeyDZKFSAMWEOTPQA-UHFFFAOYSA-N
MW396.65 g/mol
LogP5.64
Rot. Bonds19

About lithium;benzyl-dimethyl-octadecylazanium;hydride

lithium;benzyl-dimethyl-octadecylazanium;hydride (PubChem CID 174582976) has the molecular formula C27H51LiN+ and a molecular weight of 396.65 g/mol. Its IUPAC name is lithium;benzyl-dimethyl-octadecylazanium;hydride.

Molecular Properties

Compound Namelithium;benzyl-dimethyl-octadecylazanium;hydride
PubChem CID174582976
Molecular FormulaC27H51LiN+
Molecular Weight396.65 g/mol
Exact Mass396.42
IUPAC Namelithium;benzyl-dimethyl-octadecylazanium;hydride
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[H-].[Li+]
InChIInChI=1S/C27H50N.Li.H/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;;/q2*+1;-1
InChIKeyDZKFSAMWEOTPQA-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl-dimethyl-octadecylazanium;benzyl-hexadecyl-dimethylazanium
CID 159179523
benzyl-dimethyl-octylazanium
CID 13741
tris(benzyl-dodecyl-dimethylazanium);tribromide
CID 155665719
benzyl-heptyl-dimethylazanium chloride
CID 23274918
benzyl-dodecyl-dimethylazanium bromide
CID 23705
benzyl-hexadecyl-dimethylazanium;hydrobromide
CID 174689063
benzyl-dimethyl-octylazanium;benzyl-dodecyl-dimethylazanium;difluoride
CID 162146991
azane;benzyl-dimethyl-octadecylazanium;hydrochloride
CID 174832079
bis(benzyl-dimethyl-tetradecylazanium);dichloride;dihydrate
CID 159396332
bis(benzyl-dimethyl-tetradecylazanium);dichloride;hydrate
CID 158851998
benzyl-dimethyl-octadecylazanium;sulfuric acid
CID 87837990
CID 175396527
CID 175396527

Frequently Asked Questions

What is the IUPAC name of lithium;benzyl-dimethyl-octadecylazanium;hydride?
The IUPAC name of lithium;benzyl-dimethyl-octadecylazanium;hydride (CID 174582976) is lithium;benzyl-dimethyl-octadecylazanium;hydride.
What is the SMILES notation for lithium;benzyl-dimethyl-octadecylazanium;hydride?
The canonical SMILES for lithium;benzyl-dimethyl-octadecylazanium;hydride is CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[H-].[Li+].
What is the InChIKey of lithium;benzyl-dimethyl-octadecylazanium;hydride?
The InChIKey is DZKFSAMWEOTPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N.Li.H/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(2,3)26-27-23-20-19-21-24-27;;/h19-21,23-24H,4-18,22,25-26H2,1-3H3;;/q2*+1;-1.
What are the key properties of lithium;benzyl-dimethyl-octadecylazanium;hydride?
lithium;benzyl-dimethyl-octadecylazanium;hydride has a molecular weight of 396.65 g/mol, XLogP of 5.64, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;benzyl-dimethyl-octadecylazanium;hydride is sourced from PubChem (CID 174582976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).