diheptyl(dihexyl)azanium perchlorate

C26H56ClNO4 — CID 57349972

IUPACdiheptyl(dihexyl)azanium perchlorate
SMILESCCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C26H56N.ClHO4/c1-5-9-13-17-21-25-27(23-19-15-11-7-3,24-20-16-12-8-4)26-22-18-14-10-6-2;2-1(3,4)5/h5-26H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyJGMJKDLOUISAQN-UHFFFAOYSA-M
MW482.19 g/mol
LogP4.15
Rot. Bonds22

About diheptyl(dihexyl)azanium perchlorate

diheptyl(dihexyl)azanium perchlorate (PubChem CID 57349972) has the molecular formula C26H56ClNO4 and a molecular weight of 482.19 g/mol. Its IUPAC name is diheptyl(dihexyl)azanium perchlorate.

Molecular Properties

Compound Namediheptyl(dihexyl)azanium perchlorate
PubChem CID57349972
Molecular FormulaC26H56ClNO4
Molecular Weight482.19 g/mol
Exact Mass481.39
IUPAC Namediheptyl(dihexyl)azanium perchlorate
SMILESCCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCC.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C26H56N.ClHO4/c1-5-9-13-17-21-25-27(23-19-15-11-7-3,24-20-16-12-8-4)26-22-18-14-10-6-2;2-1(3,4)5/h5-26H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyJGMJKDLOUISAQN-UHFFFAOYSA-M
XLogP4.15
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.19
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diheptyl(dihexyl)azanium perchlorate 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

tetrabutylazanium;perchlorate;hydrobromide
CID 173079032
methanolate;tetraoctadecylazanium
CID 118496567
pentyl-tri(tridecyl)azanium
CID 87897500
decyl-tri(undecyl)azanium
CID 87810629
octyl-tri(pentadecyl)azanium
CID 87809127
dodecyl(triheptyl)azanium
CID 12049151
tri(heptadecyl)-octylazanium
CID 87809516
trihexyl(nonyl)azanium
CID 87777679
octadecyl-tri(undecyl)azanium
CID 87811974
hexadecyl(trihexyl)azanium
CID 19021069
heptyl-tri(undecyl)azanium
CID 87808112
tridodecyl(pentadecyl)azanium
CID 87808406

Frequently Asked Questions

What is the IUPAC name of diheptyl(dihexyl)azanium perchlorate?
The IUPAC name of diheptyl(dihexyl)azanium perchlorate (CID 57349972) is diheptyl(dihexyl)azanium perchlorate.
What is the SMILES notation for diheptyl(dihexyl)azanium perchlorate?
The canonical SMILES for diheptyl(dihexyl)azanium perchlorate is CCCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCC.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of diheptyl(dihexyl)azanium perchlorate?
The InChIKey is JGMJKDLOUISAQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H56N.ClHO4/c1-5-9-13-17-21-25-27(23-19-15-11-7-3,24-20-16-12-8-4)26-22-18-14-10-6-2;2-1(3,4)5/h5-26H2,1-4H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of diheptyl(dihexyl)azanium perchlorate?
diheptyl(dihexyl)azanium perchlorate has a molecular weight of 482.19 g/mol, XLogP of 4.15, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diheptyl(dihexyl)azanium perchlorate is sourced from PubChem (CID 57349972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).