dimethyl-octyl-propan-2-ylazanium chloride

C13H30ClN — CID 162517722

IUPACdimethyl-octyl-propan-2-ylazanium chloride
SMILESCCCCCCCC[N+](C)(C)C(C)C.[Cl-]
InChIInChI=1S/C13H30N.ClH/c1-6-7-8-9-10-11-12-14(4,5)13(2)3;/h13H,6-12H2,1-5H3;1H/q+1;/p-1
InChIKeyCHFGRODTCUSMOV-UHFFFAOYSA-M
MW235.84 g/mol
LogP0.84
Rot. Bonds8

About dimethyl-octyl-propan-2-ylazanium chloride

dimethyl-octyl-propan-2-ylazanium chloride (PubChem CID 162517722) has the molecular formula C13H30ClN and a molecular weight of 235.84 g/mol. Its IUPAC name is dimethyl-octyl-propan-2-ylazanium chloride.

Molecular Properties

Compound Namedimethyl-octyl-propan-2-ylazanium chloride
PubChem CID162517722
Molecular FormulaC13H30ClN
Molecular Weight235.84 g/mol
Exact Mass235.21
IUPAC Namedimethyl-octyl-propan-2-ylazanium chloride
SMILESCCCCCCCC[N+](C)(C)C(C)C.[Cl-]
InChIInChI=1S/C13H30N.ClH/c1-6-7-8-9-10-11-12-14(4,5)13(2)3;/h13H,6-12H2,1-5H3;1H/q+1;/p-1
InChIKeyCHFGRODTCUSMOV-UHFFFAOYSA-M
XLogP0.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.84
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-hydroxyethyl-dimethyl-octylazanium chloride
CID 18625157
hexadecan-2-yl-hexadecyl-dimethylazanium chloride
CID 141338407
dimethyl-nonacosan-13-yl-octadecylazanium chloride
CID 176902314
decyl-dimethyl-pentadecan-2-ylazanium
CID 88599864
decan-2-yl-dimethyl-pentadecylazanium
CID 87697488
heptadecan-2-yl-hexadecyl-dimethylazanium
CID 175181629
1,2-dihydroxypropyl-dodecyl-dimethylazanium
CID 170558264
1-(dimethylamino)ethyl-dimethyl-octylazanium
CID 19845025
hexadecyl-dimethyl-propan-2-ylazanium;styrene
CID 174526752
1-carboxyethyl-dodecyl-dimethylazanium
CID 19028565
but-3-en-2-yl-dodecyl-dimethylazanium
CID 87468419
dotetracontyl(trimethyl)azanium chloride
CID 141323567

Frequently Asked Questions

What is the IUPAC name of dimethyl-octyl-propan-2-ylazanium chloride?
The IUPAC name of dimethyl-octyl-propan-2-ylazanium chloride (CID 162517722) is dimethyl-octyl-propan-2-ylazanium chloride.
What is the SMILES notation for dimethyl-octyl-propan-2-ylazanium chloride?
The canonical SMILES for dimethyl-octyl-propan-2-ylazanium chloride is CCCCCCCC[N+](C)(C)C(C)C.[Cl-].
What is the InChIKey of dimethyl-octyl-propan-2-ylazanium chloride?
The InChIKey is CHFGRODTCUSMOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H30N.ClH/c1-6-7-8-9-10-11-12-14(4,5)13(2)3;/h13H,6-12H2,1-5H3;1H/q+1;/p-1.
What are the key properties of dimethyl-octyl-propan-2-ylazanium chloride?
dimethyl-octyl-propan-2-ylazanium chloride has a molecular weight of 235.84 g/mol, XLogP of 0.84, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octyl-propan-2-ylazanium chloride is sourced from PubChem (CID 162517722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).