triethyl(hexan-2-yl)azanium

C12H28N+ — CID 88691011

IUPACtriethyl(hexan-2-yl)azanium
SMILESCCCCC(C)[N+](CC)(CC)CC
InChIInChI=1S/C12H28N/c1-6-10-11-12(5)13(7-2,8-3)9-4/h12H,6-11H2,1-5H3/q+1
InChIKeyIIAAHORGJDRQNJ-UHFFFAOYSA-N
MW186.36 g/mol
LogP3.44
Rot. Bonds7

About triethyl(hexan-2-yl)azanium

triethyl(hexan-2-yl)azanium (PubChem CID 88691011) has the molecular formula C12H28N+ and a molecular weight of 186.36 g/mol. Its IUPAC name is triethyl(hexan-2-yl)azanium.

Molecular Properties

Compound Nametriethyl(hexan-2-yl)azanium
PubChem CID88691011
Molecular FormulaC12H28N+
Molecular Weight186.36 g/mol
Exact Mass186.22
IUPAC Nametriethyl(hexan-2-yl)azanium
SMILESCCCCC(C)[N+](CC)(CC)CC
InChIInChI=1S/C12H28N/c1-6-10-11-12(5)13(7-2,8-3)9-4/h12H,6-11H2,1-5H3/q+1
InChIKeyIIAAHORGJDRQNJ-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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

triethyl(hexadecan-2-yl)azanium
CID 87135879
triethyl(octan-2-yl)azanium
CID 57165770
dibutyl-ethyl-hexan-2-ylazanium
CID 175384713
bis(dibutyl-ethyl-hexan-2-ylazanium);sulfate
CID 175384712
6-bromohexan-2-yl(triethyl)azanium bromide
CID 175213397
tributyl(pentan-2-yl)azanium chloride
CID 87105344
ethyl-heptan-2-yl-dimethylazanium
CID 123202760
tributyl(methyl)phosphanium
CID 2760115
2-(methyldisulfanyl)hexane
CID 118070757
docosan-2-yl(trimethyl)azanium
CID 141375855
butyl-di(hexan-2-yl)phosphane
CID 22497719
8-hydroxydodecan-2-yl(trimethyl)azanium
CID 174636194

Frequently Asked Questions

What is the IUPAC name of triethyl(hexan-2-yl)azanium?
The IUPAC name of triethyl(hexan-2-yl)azanium (CID 88691011) is triethyl(hexan-2-yl)azanium.
What is the SMILES notation for triethyl(hexan-2-yl)azanium?
The canonical SMILES for triethyl(hexan-2-yl)azanium is CCCCC(C)[N+](CC)(CC)CC.
What is the InChIKey of triethyl(hexan-2-yl)azanium?
The InChIKey is IIAAHORGJDRQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N/c1-6-10-11-12(5)13(7-2,8-3)9-4/h12H,6-11H2,1-5H3/q+1.
What are the key properties of triethyl(hexan-2-yl)azanium?
triethyl(hexan-2-yl)azanium has a molecular weight of 186.36 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(hexan-2-yl)azanium is sourced from PubChem (CID 88691011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).