tetrapentylazanium

C20H44N+ — CID 17249

IUPACtetrapentylazanium
SMILESCCCCC[N+](CCCCC)(CCCCC)CCCCC
InChIInChI=1S/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3/q+1
InChIKeyGJSGYPDDPQRWPK-UHFFFAOYSA-N
MW298.58 g/mol
LogP6.56
Rot. Bonds16

About tetrapentylazanium

tetrapentylazanium (PubChem CID 17249) has the molecular formula C20H44N+ and a molecular weight of 298.58 g/mol. Its IUPAC name is tetrapentylazanium.

Molecular Properties

Compound Nametetrapentylazanium
PubChem CID17249
Molecular FormulaC20H44N+
Molecular Weight298.58 g/mol
Exact Mass298.35
IUPAC Nametetrapentylazanium
SMILESCCCCC[N+](CCCCC)(CCCCC)CCCCC
InChIInChI=1S/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3/q+1
InChIKeyGJSGYPDDPQRWPK-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.58
LogP ≤ 56.56
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'}

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Frequently Asked Questions

What is the IUPAC name of tetrapentylazanium?
The IUPAC name of tetrapentylazanium (CID 17249) is tetrapentylazanium.
What is the SMILES notation for tetrapentylazanium?
The canonical SMILES for tetrapentylazanium is CCCCC[N+](CCCCC)(CCCCC)CCCCC.
What is the InChIKey of tetrapentylazanium?
The InChIKey is GJSGYPDDPQRWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3/q+1.
What are the key properties of tetrapentylazanium?
tetrapentylazanium has a molecular weight of 298.58 g/mol, XLogP of 6.56, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapentylazanium is sourced from PubChem (CID 17249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).