bis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate

C30H70N4O5 — CID 160948153

IUPACbis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate
SMILESCCCCCCCCCCCCCCCCCC[NH-].CC[N+](C)(C)CCO.CC[N+](C)(C)CCO.O=[N+]([O-])[O-]
InChIInChI=1S/C18H38N.2C6H16NO.NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;2*1-4-7(2,3)5-6-8;2-1(3)4/h19H,2-18H2,1H3;2*8H,4-6H2,1-3H3;/q-1;2*+1;-1
InChIKeyNAOQOKUJZRCZAV-UHFFFAOYSA-N
MW566.91 g/mol
LogP7.21
Rot. Bonds22

About bis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate

bis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate (PubChem CID 160948153) has the molecular formula C30H70N4O5 and a molecular weight of 566.91 g/mol. Its IUPAC name is bis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate.

Molecular Properties

Compound Namebis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate
PubChem CID160948153
Molecular FormulaC30H70N4O5
Molecular Weight566.91 g/mol
Exact Mass566.53
IUPAC Namebis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate
SMILESCCCCCCCCCCCCCCCCCC[NH-].CC[N+](C)(C)CCO.CC[N+](C)(C)CCO.O=[N+]([O-])[O-]
InChIInChI=1S/C18H38N.2C6H16NO.NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;2*1-4-7(2,3)5-6-8;2-1(3)4/h19H,2-18H2,1H3;2*8H,4-6H2,1-3H3;/q-1;2*+1;-1
InChIKeyNAOQOKUJZRCZAV-UHFFFAOYSA-N
XLogP7.21
TPSA130.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.91
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze bis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl-dimethyl-octadecylazanium nitrate
CID 172736474
dimethyl-di(tetradecyl)azanium nitrate
CID 138754437
tetra(undecyl)azanium nitrate
CID 21396879
bis(decyl-(2-hydroxyethyl)-dimethylazanium);dichloride;hydrobromide
CID 172747329
ethyl-hexyl-(2-hydroxyethyl)-methylazanium
CID 150177845
2-hydroxyethyl-dimethyl-octadecylazanium;nitrous acid
CID 174836924
tris(3-(dodecanoylamino)propyl-(2-hydroxyethyl)-dimethylazanium);nitrate;sulfate
CID 139888846
hexyl-(2-hydroxyethyl)-methyl-pentylazanium
CID 139954665
bis(dimethyl-propyl-tetradecylazanium);hexadecylazanide;bromide
CID 141423048
ethyl-dimethyl-octadecylazanium;sulfuric acid
CID 90169369
bis(dodecyl-dimethyl-propylazanium);octadecylazanide;chloride
CID 141423050
bis(hexadecyl-dimethyl-propylazanium);octadecylazanide;bromide
CID 141423052

Frequently Asked Questions

What is the IUPAC name of bis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate?
The IUPAC name of bis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate (CID 160948153) is bis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate.
What is the SMILES notation for bis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate?
The canonical SMILES for bis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate is CCCCCCCCCCCCCCCCCC[NH-].CC[N+](C)(C)CCO.CC[N+](C)(C)CCO.O=[N+]([O-])[O-].
What is the InChIKey of bis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate?
The InChIKey is NAOQOKUJZRCZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N.2C6H16NO.NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;2*1-4-7(2,3)5-6-8;2-1(3)4/h19H,2-18H2,1H3;2*8H,4-6H2,1-3H3;/q-1;2*+1;-1.
What are the key properties of bis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate?
bis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate has a molecular weight of 566.91 g/mol, XLogP of 7.21, 22 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethyl-(2-hydroxyethyl)-dimethylazanium);octadecylazanide;nitrate is sourced from PubChem (CID 160948153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).