diethyl-hexyl-(1-hydroxyethyl)azanium chloride

C12H28ClNO — CID 174515808

IUPACdiethyl-hexyl-(1-hydroxyethyl)azanium chloride
SMILESCCCCCC[N+](CC)(CC)C(C)O.[Cl-]
InChIInChI=1S/C12H28NO.ClH/c1-5-8-9-10-11-13(6-2,7-3)12(4)14;/h12,14H,5-11H2,1-4H3;1H/q+1;/p-1
InChIKeyDPUDVLDMVLFXAH-UHFFFAOYSA-M
MW237.81 g/mol
LogP-0.23
Rot. Bonds8

About diethyl-hexyl-(1-hydroxyethyl)azanium chloride

diethyl-hexyl-(1-hydroxyethyl)azanium chloride (PubChem CID 174515808) has the molecular formula C12H28ClNO and a molecular weight of 237.81 g/mol. Its IUPAC name is diethyl-hexyl-(1-hydroxyethyl)azanium chloride.

Molecular Properties

Compound Namediethyl-hexyl-(1-hydroxyethyl)azanium chloride
PubChem CID174515808
Molecular FormulaC12H28ClNO
Molecular Weight237.81 g/mol
Exact Mass237.19
IUPAC Namediethyl-hexyl-(1-hydroxyethyl)azanium chloride
SMILESCCCCCC[N+](CC)(CC)C(C)O.[Cl-]
InChIInChI=1S/C12H28NO.ClH/c1-5-8-9-10-11-13(6-2,7-3)12(4)14;/h12,14H,5-11H2,1-4H3;1H/q+1;/p-1
InChIKeyDPUDVLDMVLFXAH-UHFFFAOYSA-M
XLogP-0.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.81
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-hydroxyethyl-dimethyl-octylazanium chloride
CID 18625157
dodecyl-bis(1-hydroxyethyl)-methylazanium chloride
CID 87670924
di(docosyl)-bis(1-hydroxyethyl)azanium
CID 87433425
tris(1-hydroxyethyl)-octadecylazanium bromide
CID 18003854
dodecyl-bis(1-hydroxyethyl)-octylazanium
CID 88660791
dihexadecyl-bis(1-hydroxyethyl)azanium
CID 87125625
1-hydroxyethyl-methyl-octadecyl-octylazanium bromide
CID 175221390
N,N-bis(1-hydroxyethyl)hexadecan-1-amine oxide
CID 87145118
octane;propan-2-ol
CID 160746796
ethyl-bis[1-(1-hydroxyethoxy)ethyl]-octadecylazanium
CID 139833504
hexadecyl-bis(2-hydroxyethyl)-propan-2-ylazanium iodide
CID 87090557
1-carboxyethyl(trihexyl)azanium
CID 139977305

Frequently Asked Questions

What is the IUPAC name of diethyl-hexyl-(1-hydroxyethyl)azanium chloride?
The IUPAC name of diethyl-hexyl-(1-hydroxyethyl)azanium chloride (CID 174515808) is diethyl-hexyl-(1-hydroxyethyl)azanium chloride.
What is the SMILES notation for diethyl-hexyl-(1-hydroxyethyl)azanium chloride?
The canonical SMILES for diethyl-hexyl-(1-hydroxyethyl)azanium chloride is CCCCCC[N+](CC)(CC)C(C)O.[Cl-].
What is the InChIKey of diethyl-hexyl-(1-hydroxyethyl)azanium chloride?
The InChIKey is DPUDVLDMVLFXAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28NO.ClH/c1-5-8-9-10-11-13(6-2,7-3)12(4)14;/h12,14H,5-11H2,1-4H3;1H/q+1;/p-1.
What are the key properties of diethyl-hexyl-(1-hydroxyethyl)azanium chloride?
diethyl-hexyl-(1-hydroxyethyl)azanium chloride has a molecular weight of 237.81 g/mol, XLogP of -0.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-hexyl-(1-hydroxyethyl)azanium chloride is sourced from PubChem (CID 174515808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).