heptylazanium

C7H18N+ — CID 15839333

IUPACheptylazanium
SMILESCCCCCCC[NH3+]
InChIInChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3/p+1
InChIKeyWJYIASZWHGOTOU-UHFFFAOYSA-O
MW116.23 g/mol
LogP1.20
Rot. Bonds5

About heptylazanium

heptylazanium (PubChem CID 15839333) has the molecular formula C7H18N+ and a molecular weight of 116.23 g/mol. Its IUPAC name is heptylazanium.

Molecular Properties

Compound Nameheptylazanium
PubChem CID15839333
Molecular FormulaC7H18N+
Molecular Weight116.23 g/mol
Exact Mass116.14
IUPAC Nameheptylazanium
SMILESCCCCCCC[NH3+]
InChIInChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3/p+1
InChIKeyWJYIASZWHGOTOU-UHFFFAOYSA-O
XLogP1.20
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze heptylazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of heptylazanium?
The IUPAC name of heptylazanium (CID 15839333) is heptylazanium.
What is the SMILES notation for heptylazanium?
The canonical SMILES for heptylazanium is CCCCCCC[NH3+].
What is the InChIKey of heptylazanium?
The InChIKey is WJYIASZWHGOTOU-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3/p+1.
What are the key properties of heptylazanium?
heptylazanium has a molecular weight of 116.23 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptylazanium is sourced from PubChem (CID 15839333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).