lithium;dimethyl(dioctadecyl)azanium;hydride

C38H81LiN+ — CID 174571787

IUPAClithium;dimethyl(dioctadecyl)azanium;hydride
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[H-].[Li+]
InChIInChI=1S/C38H80N.Li.H/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;;/h5-38H2,1-4H3;;/q2*+1;-1
InChIKeyJWWXIHJDOXQTGZ-UHFFFAOYSA-N
MW559.01 g/mol
LogP10.70
Rot. Bonds34

About lithium;dimethyl(dioctadecyl)azanium;hydride

lithium;dimethyl(dioctadecyl)azanium;hydride (PubChem CID 174571787) has the molecular formula C38H81LiN+ and a molecular weight of 559.01 g/mol. Its IUPAC name is lithium;dimethyl(dioctadecyl)azanium;hydride.

Molecular Properties

Compound Namelithium;dimethyl(dioctadecyl)azanium;hydride
PubChem CID174571787
Molecular FormulaC38H81LiN+
Molecular Weight559.01 g/mol
Exact Mass558.65
IUPAC Namelithium;dimethyl(dioctadecyl)azanium;hydride
SMILESCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[H-].[Li+]
InChIInChI=1S/C38H80N.Li.H/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;;/h5-38H2,1-4H3;;/q2*+1;-1
InChIKeyJWWXIHJDOXQTGZ-UHFFFAOYSA-N
XLogP10.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds34
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.01
LogP ≤ 510.70
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

dodecyl-dimethyl-undecylazanium
CID 21491028
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dimethyl-pentyl-tridecylazanium
CID 160884159
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413

Frequently Asked Questions

What is the IUPAC name of lithium;dimethyl(dioctadecyl)azanium;hydride?
The IUPAC name of lithium;dimethyl(dioctadecyl)azanium;hydride (CID 174571787) is lithium;dimethyl(dioctadecyl)azanium;hydride.
What is the SMILES notation for lithium;dimethyl(dioctadecyl)azanium;hydride?
The canonical SMILES for lithium;dimethyl(dioctadecyl)azanium;hydride is CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[H-].[Li+].
What is the InChIKey of lithium;dimethyl(dioctadecyl)azanium;hydride?
The InChIKey is JWWXIHJDOXQTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H80N.Li.H/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;;/h5-38H2,1-4H3;;/q2*+1;-1.
What are the key properties of lithium;dimethyl(dioctadecyl)azanium;hydride?
lithium;dimethyl(dioctadecyl)azanium;hydride has a molecular weight of 559.01 g/mol, XLogP of 10.70, 34 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;dimethyl(dioctadecyl)azanium;hydride is sourced from PubChem (CID 174571787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).