6-(dimethylamino)hexyl-dodecyl-dimethylazanium

C22H49N2+ — CID 86012356

IUPAC6-(dimethylamino)hexyl-dodecyl-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)CCCCCCN(C)C
InChIInChI=1S/C22H49N2/c1-6-7-8-9-10-11-12-13-15-18-21-24(4,5)22-19-16-14-17-20-23(2)3/h6-22H2,1-5H3/q+1
InChIKeyYLFUVYQDOQUVND-UHFFFAOYSA-N
MW341.65 g/mol
LogP6.11
Rot. Bonds18

About 6-(dimethylamino)hexyl-dodecyl-dimethylazanium

6-(dimethylamino)hexyl-dodecyl-dimethylazanium (PubChem CID 86012356) has the molecular formula C22H49N2+ and a molecular weight of 341.65 g/mol. Its IUPAC name is 6-(dimethylamino)hexyl-dodecyl-dimethylazanium.

Molecular Properties

Compound Name6-(dimethylamino)hexyl-dodecyl-dimethylazanium
PubChem CID86012356
Molecular FormulaC22H49N2+
Molecular Weight341.65 g/mol
Exact Mass341.39
IUPAC Name6-(dimethylamino)hexyl-dodecyl-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)CCCCCCN(C)C
InChIInChI=1S/C22H49N2/c1-6-7-8-9-10-11-12-13-15-18-21-24(4,5)22-19-16-14-17-20-23(2)3/h6-22H2,1-5H3/q+1
InChIKeyYLFUVYQDOQUVND-UHFFFAOYSA-N
XLogP6.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.65
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-(dimethylamino)ethyl-icosyl-dimethylazanium
CID 72947262
2-(dimethylamino)ethyl-dimethyl-octylazanium
CID 14625803
bis[10-(dimethylamino)decyl]-dimethylazanium;ethane
CID 163265198
borane;N,N-dimethylhexan-1-amine
CID 134905026
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
N,N-dimethyloctan-1-amine
CID 161279104
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
heptyl-[4-[hexadecyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 175704870

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)hexyl-dodecyl-dimethylazanium?
The IUPAC name of 6-(dimethylamino)hexyl-dodecyl-dimethylazanium (CID 86012356) is 6-(dimethylamino)hexyl-dodecyl-dimethylazanium.
What is the SMILES notation for 6-(dimethylamino)hexyl-dodecyl-dimethylazanium?
The canonical SMILES for 6-(dimethylamino)hexyl-dodecyl-dimethylazanium is CCCCCCCCCCCC[N+](C)(C)CCCCCCN(C)C.
What is the InChIKey of 6-(dimethylamino)hexyl-dodecyl-dimethylazanium?
The InChIKey is YLFUVYQDOQUVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49N2/c1-6-7-8-9-10-11-12-13-15-18-21-24(4,5)22-19-16-14-17-20-23(2)3/h6-22H2,1-5H3/q+1.
What are the key properties of 6-(dimethylamino)hexyl-dodecyl-dimethylazanium?
6-(dimethylamino)hexyl-dodecyl-dimethylazanium has a molecular weight of 341.65 g/mol, XLogP of 6.11, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)hexyl-dodecyl-dimethylazanium is sourced from PubChem (CID 86012356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).