trimethyl(nonan-5-yl)azanium

C12H28N+ — CID 14113823

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

About trimethyl(nonan-5-yl)azanium

trimethyl(nonan-5-yl)azanium (PubChem CID 14113823) has the molecular formula C12H28N+ and a molecular weight of 186.36 g/mol. Its IUPAC name is trimethyl(nonan-5-yl)azanium.

Molecular Properties

Compound Nametrimethyl(nonan-5-yl)azanium
PubChem CID14113823
Molecular FormulaC12H28N+
Molecular Weight186.36 g/mol
Exact Mass186.22
IUPAC Nametrimethyl(nonan-5-yl)azanium
SMILESCCCCC(CCCC)[N+](C)(C)C
InChIInChI=1S/C12H28N/c1-6-8-10-12(11-9-7-2)13(3,4)5/h12H,6-11H2,1-5H3/q+1
InChIKeyDAUWUMGVXUJXMD-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

decan-5-yl(trimethyl)azanium
CID 71390285
trimethyl(octadecan-9-yl)azanium chloride
CID 86184812
9,9-dihydroxydecan-5-yl(trimethyl)azanium
CID 141455394
docosan-3-yl(trimethyl)azanium chloride
CID 87279743
tetra(octan-4-yl)azanium fluoride
CID 87832016
1-hydroxyicosan-2-yl(trimethyl)azanium
CID 122612180
dimethyl-di(octan-3-yl)azanium
CID 155126039
trimethyl-[1-(trimethylazaniumyl)hexan-3-yl]azanium dichloride
CID 87755334
ethyl-dimethyl-octadecan-9-ylazanium
CID 21324513
(1-chloro-2-hydroxypentadecan-4-yl)-trimethylazanium
CID 158970129
heptatriacontan-19-yl-methyl-dioctadecylazanium
CID 174891998
tributyl(heptan-3-yl)azanium hydroxide
CID 87346381

Frequently Asked Questions

What is the IUPAC name of trimethyl(nonan-5-yl)azanium?
The IUPAC name of trimethyl(nonan-5-yl)azanium (CID 14113823) is trimethyl(nonan-5-yl)azanium.
What is the SMILES notation for trimethyl(nonan-5-yl)azanium?
The canonical SMILES for trimethyl(nonan-5-yl)azanium is CCCCC(CCCC)[N+](C)(C)C.
What is the InChIKey of trimethyl(nonan-5-yl)azanium?
The InChIKey is DAUWUMGVXUJXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N/c1-6-8-10-12(11-9-7-2)13(3,4)5/h12H,6-11H2,1-5H3/q+1.
What are the key properties of trimethyl(nonan-5-yl)azanium?
trimethyl(nonan-5-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 trimethyl(nonan-5-yl)azanium is sourced from PubChem (CID 14113823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).