diethyl-propan-2-yl-propylazanium

C10H24N+ — CID 22044352

IUPACdiethyl-propan-2-yl-propylazanium
SMILESCCC[N+](CC)(CC)C(C)C
InChIInChI=1S/C10H24N/c1-6-9-11(7-2,8-3)10(4)5/h10H,6-9H2,1-5H3/q+1
InChIKeyFIWKZGLQMIABFH-UHFFFAOYSA-N
MW158.31 g/mol
LogP2.66
Rot. Bonds5

About diethyl-propan-2-yl-propylazanium

diethyl-propan-2-yl-propylazanium (PubChem CID 22044352) has the molecular formula C10H24N+ and a molecular weight of 158.31 g/mol. Its IUPAC name is diethyl-propan-2-yl-propylazanium.

Molecular Properties

Compound Namediethyl-propan-2-yl-propylazanium
PubChem CID22044352
Molecular FormulaC10H24N+
Molecular Weight158.31 g/mol
Exact Mass158.19
IUPAC Namediethyl-propan-2-yl-propylazanium
SMILESCCC[N+](CC)(CC)C(C)C
InChIInChI=1S/C10H24N/c1-6-9-11(7-2,8-3)10(4)5/h10H,6-9H2,1-5H3/q+1
InChIKeyFIWKZGLQMIABFH-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 52.66
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

1-hydroxyethyl(tripropyl)azanium hydroxide
CID 88798296
ethyl-methyl-propan-2-yl-propylazanium
CID 87299517
triethyl(3-methylbutan-2-yl)azanium
CID 178182699
(1-chloro-2-hydroxypropyl)-tripropylazanium chloride
CID 174656021
dibutyl-ethyl-hexan-2-ylazanium
CID 175384713
diethyl-propan-2-yl-(2-prop-2-enoyloxyethyl)azanium bromide
CID 141387980
triethyl(hexan-2-yl)azanium
CID 88691011
1-aminoethyl(triethyl)azanium hydroxide
CID 174922133
1-methoxyethyl-dimethyl-propylazanium
CID 87324332
diethyl-hexyl-(1-hydroxyethyl)azanium chloride
CID 174515808
hexadecyl-bis(2-hydroxyethyl)-propan-2-ylazanium iodide
CID 87090557
triethyl(hexadecan-2-yl)azanium
CID 87135879

Frequently Asked Questions

What is the IUPAC name of diethyl-propan-2-yl-propylazanium?
The IUPAC name of diethyl-propan-2-yl-propylazanium (CID 22044352) is diethyl-propan-2-yl-propylazanium.
What is the SMILES notation for diethyl-propan-2-yl-propylazanium?
The canonical SMILES for diethyl-propan-2-yl-propylazanium is CCC[N+](CC)(CC)C(C)C.
What is the InChIKey of diethyl-propan-2-yl-propylazanium?
The InChIKey is FIWKZGLQMIABFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N/c1-6-9-11(7-2,8-3)10(4)5/h10H,6-9H2,1-5H3/q+1.
What are the key properties of diethyl-propan-2-yl-propylazanium?
diethyl-propan-2-yl-propylazanium has a molecular weight of 158.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-propan-2-yl-propylazanium is sourced from PubChem (CID 22044352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).