trimethyl(pentyl)azanium

C8H20N+ — CID 9022

IUPACtrimethyl(pentyl)azanium
SMILESCCCCC[N+](C)(C)C
InChIInChI=1S/C8H20N/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3/q+1
InChIKeyACZOGADOAZWANS-UHFFFAOYSA-N
MW130.25 g/mol
LogP1.88
Rot. Bonds4

About trimethyl(pentyl)azanium

trimethyl(pentyl)azanium (PubChem CID 9022) has the molecular formula C8H20N+ and a molecular weight of 130.25 g/mol. Its IUPAC name is trimethyl(pentyl)azanium.

Molecular Properties

Compound Nametrimethyl(pentyl)azanium
PubChem CID9022
Molecular FormulaC8H20N+
Molecular Weight130.25 g/mol
Exact Mass130.16
IUPAC Nametrimethyl(pentyl)azanium
SMILESCCCCC[N+](C)(C)C
InChIInChI=1S/C8H20N/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3/q+1
InChIKeyACZOGADOAZWANS-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.25
LogP ≤ 51.88
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 trimethyl(pentyl)azanium?
The IUPAC name of trimethyl(pentyl)azanium (CID 9022) is trimethyl(pentyl)azanium.
What is the SMILES notation for trimethyl(pentyl)azanium?
The canonical SMILES for trimethyl(pentyl)azanium is CCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl(pentyl)azanium?
The InChIKey is ACZOGADOAZWANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3/q+1.
What are the key properties of trimethyl(pentyl)azanium?
trimethyl(pentyl)azanium has a molecular weight of 130.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(pentyl)azanium is sourced from PubChem (CID 9022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).