dibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium

C30H64N+ — CID 139407640

IUPACdibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium
SMILESCCCCCC(C)CCCC[N+](CCCC)(CCCC)CCCCC(CC)CCCC
InChIInChI=1S/C30H64N/c1-7-12-16-21-29(6)22-17-19-27-31(25-14-9-3,26-15-10-4)28-20-18-24-30(11-5)23-13-8-2/h29-30H,7-28H2,1-6H3/q+1
InChIKeyTVCGQVKHNKDLDB-UHFFFAOYSA-N
MW438.85 g/mol
LogP10.18
Rot. Bonds24

About dibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium

dibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium (PubChem CID 139407640) has the molecular formula C30H64N+ and a molecular weight of 438.85 g/mol. Its IUPAC name is dibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium.

Molecular Properties

Compound Namedibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium
PubChem CID139407640
Molecular FormulaC30H64N+
Molecular Weight438.85 g/mol
Exact Mass438.50
IUPAC Namedibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium
SMILESCCCCCC(C)CCCC[N+](CCCC)(CCCC)CCCCC(CC)CCCC
InChIInChI=1S/C30H64N/c1-7-12-16-21-29(6)22-17-19-27-31(25-14-9-3,26-15-10-4)28-20-18-24-30(11-5)23-13-8-2/h29-30H,7-28H2,1-6H3/q+1
InChIKeyTVCGQVKHNKDLDB-UHFFFAOYSA-N
XLogP10.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.85
LogP ≤ 510.18
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'}

Analyze dibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium 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

5-ethyl-8-methyltetradecane
CID 158454229
13-ethyl-3,8-dimethyloctadecane
CID 123214629
19-ethyl-15-methyltetratriacontane
CID 123150994
13-ethyl-16-methyltriacontane
CID 123421227
15,19-didecyl-11-ethyl-23-methyltritriacontane
CID 175146840
18-ethyl-15-methyltetratriacontane
CID 123619510
7-ethylpentadecane;5-ethylundecane;3-methylundecane;nonane;tridecane;undecane
CID 161368370
9-ethyl-3-methyltridecane
CID 54105230
7-ethyl-3-methylundecane
CID 57085432
13-methyl-24-tetradecyltritetracontane
CID 173071329
15-butyl-3,6-dimethylhexacosane
CID 153276660
5-ethyl-7-methylhexadecane
CID 173452938

Frequently Asked Questions

What is the IUPAC name of dibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium?
The IUPAC name of dibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium (CID 139407640) is dibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium.
What is the SMILES notation for dibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium?
The canonical SMILES for dibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium is CCCCCC(C)CCCC[N+](CCCC)(CCCC)CCCCC(CC)CCCC.
What is the InChIKey of dibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium?
The InChIKey is TVCGQVKHNKDLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64N/c1-7-12-16-21-29(6)22-17-19-27-31(25-14-9-3,26-15-10-4)28-20-18-24-30(11-5)23-13-8-2/h29-30H,7-28H2,1-6H3/q+1.
What are the key properties of dibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium?
dibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium has a molecular weight of 438.85 g/mol, XLogP of 10.18, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(5-ethylnonyl)-(5-methyldecyl)azanium is sourced from PubChem (CID 139407640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).