dimethyl(dipropyl)azanium chloride

C8H20ClN — CID 19774441

IUPACdimethyl(dipropyl)azanium chloride
SMILESCCC[N+](C)(C)CCC.[Cl-]
InChIInChI=1S/C8H20N.ClH/c1-5-7-9(3,4)8-6-2;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyWOYQCKODTASHPN-UHFFFAOYSA-M
MW165.71 g/mol
LogP-1.11
Rot. Bonds4

About dimethyl(dipropyl)azanium chloride

dimethyl(dipropyl)azanium chloride (PubChem CID 19774441) has the molecular formula C8H20ClN and a molecular weight of 165.71 g/mol. Its IUPAC name is dimethyl(dipropyl)azanium chloride.

Molecular Properties

Compound Namedimethyl(dipropyl)azanium chloride
PubChem CID19774441
Molecular FormulaC8H20ClN
Molecular Weight165.71 g/mol
Exact Mass165.13
IUPAC Namedimethyl(dipropyl)azanium chloride
SMILESCCC[N+](C)(C)CCC.[Cl-]
InChIInChI=1S/C8H20N.ClH/c1-5-7-9(3,4)8-6-2;/h5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyWOYQCKODTASHPN-UHFFFAOYSA-M
XLogP-1.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.71
LogP ≤ 5-1.11
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

8-[dimethyl(propyl)azaniumyl]octyl-dimethyl-propylazanium
CID 175720257
butyl-dimethyl-propylazanium;ethane
CID 156736047
heptadecyl-dimethyl-propylazanium
CID 156729751
2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 22833505
2-[2-[dimethyl(propyl)azaniumyl]ethyldisulfanyl]ethyl-dimethyl-propylazanium diiodide
CID 132957393
bis(dodecyl-dimethyl-propylazanium);octadecylazanide;chloride
CID 141423050
hexyl-icosyl-dimethylazanium chloride
CID 141083999
decyl-hexyl-dimethylazanium chloride
CID 19369138
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415
decyl-dimethyl-nonylazanium chloride
CID 23185420
2-[2-[dimethyl(propyl)azaniumyl]ethoxy]ethyl-(2-ethoxyethyl)-dimethylazanium
CID 102439833
ethyl-dimethyl-propylazanium hexafluorophosphate
CID 140620148

Frequently Asked Questions

What is the IUPAC name of dimethyl(dipropyl)azanium chloride?
The IUPAC name of dimethyl(dipropyl)azanium chloride (CID 19774441) is dimethyl(dipropyl)azanium chloride.
What is the SMILES notation for dimethyl(dipropyl)azanium chloride?
The canonical SMILES for dimethyl(dipropyl)azanium chloride is CCC[N+](C)(C)CCC.[Cl-].
What is the InChIKey of dimethyl(dipropyl)azanium chloride?
The InChIKey is WOYQCKODTASHPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.ClH/c1-5-7-9(3,4)8-6-2;/h5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of dimethyl(dipropyl)azanium chloride?
dimethyl(dipropyl)azanium chloride has a molecular weight of 165.71 g/mol, XLogP of -1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(dipropyl)azanium chloride is sourced from PubChem (CID 19774441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).