tetrapropylazanium

C12H28N+ — CID 9559

IUPACtetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC
InChIInChI=1S/C12H28N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3/q+1
InChIKeyOSBSFAARYOCBHB-UHFFFAOYSA-N
MW186.36 g/mol
LogP3.44
Rot. Bonds8

About tetrapropylazanium

tetrapropylazanium (PubChem CID 9559) has the molecular formula C12H28N+ and a molecular weight of 186.36 g/mol. Its IUPAC name is tetrapropylazanium.

Molecular Properties

Compound Nametetrapropylazanium
PubChem CID9559
Molecular FormulaC12H28N+
Molecular Weight186.36 g/mol
Exact Mass186.22
IUPAC Nametetrapropylazanium
SMILESCCC[N+](CCC)(CCC)CCC
InChIInChI=1S/C12H28N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3/q+1
InChIKeyOSBSFAARYOCBHB-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Tetraethylammonium Chloride
CID 5946
Tributylamine
CID 7622
Tripropylamine
CID 7616
Tetraethylammonium
CID 5413
Tetraethylammonium Bromide
CID 6285
Tributylmethylammonium chloride
CID 91822
Tetrabutylammonium
CID 16028
Tetraethylammonium Iodide
CID 6225
Tetrapropylammonium iodide
CID 12429
2,6,10-Trimethyl-2,6,10-triazaundecane
CID 77463
Diisopropylethylamine
CID 81531
Tetramethylputrescine
CID 66074

Frequently Asked Questions

What is the IUPAC name of tetrapropylazanium?
The IUPAC name of tetrapropylazanium (CID 9559) is tetrapropylazanium.
What is the SMILES notation for tetrapropylazanium?
The canonical SMILES for tetrapropylazanium is CCC[N+](CCC)(CCC)CCC.
What is the InChIKey of tetrapropylazanium?
The InChIKey is OSBSFAARYOCBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N/c1-5-9-13(10-6-2,11-7-3)12-8-4/h5-12H2,1-4H3/q+1.
What are the key properties of tetrapropylazanium?
tetrapropylazanium has a molecular weight of 186.36 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapropylazanium is sourced from PubChem (CID 9559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).