diamino-hexyl-phenylazanium

C12H22N3+ — CID 23322203

IUPACdiamino-hexyl-phenylazanium
SMILESCCCCCC[N+](N)(N)c1ccccc1
InChIInChI=1S/C12H22N3/c1-2-3-4-8-11-15(13,14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11,13-14H2,1H3/q+1
InChIKeyIVEWDIOSSZDTBP-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.32
Rot. Bonds6

About diamino-hexyl-phenylazanium

diamino-hexyl-phenylazanium (PubChem CID 23322203) has the molecular formula C12H22N3+ and a molecular weight of 208.33 g/mol. Its IUPAC name is diamino-hexyl-phenylazanium.

Molecular Properties

Compound Namediamino-hexyl-phenylazanium
PubChem CID23322203
Molecular FormulaC12H22N3+
Molecular Weight208.33 g/mol
Exact Mass208.18
IUPAC Namediamino-hexyl-phenylazanium
SMILESCCCCCC[N+](N)(N)c1ccccc1
InChIInChI=1S/C12H22N3/c1-2-3-4-8-11-15(13,14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11,13-14H2,1H3/q+1
InChIKeyIVEWDIOSSZDTBP-UHFFFAOYSA-N
XLogP2.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze diamino-hexyl-phenylazanium 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

triphenyl(undecyl)azanium
CID 69395784
dihexyl(diphenyl)azanium
CID 18362526
diheptyl(diphenyl)azanium iodide
CID 69308025
triphenyl(tetradecyl)azanium iodide
CID 69306289
dihexyl(diphenyl)azanium iodide
CID 69305411
diethyl-hexadecyl-phenylazanium bromide
CID 163210930
heptyl-nonyl-diphenylazanium hydroxide
CID 175510166
decyl(triphenyl)azanium iodide
CID 69306188
methyl-phenyl-di(tridecyl)azanium
CID 90292596
octadecyl(triphenyl)azanium bromide
CID 69305421
diethyl-heptadecyl-phenylazanium
CID 163210934
dimethyl-octyl-phenylazanium
CID 54404840

Frequently Asked Questions

What is the IUPAC name of diamino-hexyl-phenylazanium?
The IUPAC name of diamino-hexyl-phenylazanium (CID 23322203) is diamino-hexyl-phenylazanium.
What is the SMILES notation for diamino-hexyl-phenylazanium?
The canonical SMILES for diamino-hexyl-phenylazanium is CCCCCC[N+](N)(N)c1ccccc1.
What is the InChIKey of diamino-hexyl-phenylazanium?
The InChIKey is IVEWDIOSSZDTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N3/c1-2-3-4-8-11-15(13,14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11,13-14H2,1H3/q+1.
What are the key properties of diamino-hexyl-phenylazanium?
diamino-hexyl-phenylazanium has a molecular weight of 208.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diamino-hexyl-phenylazanium is sourced from PubChem (CID 23322203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).