amino-dodecyl-dimethylazanium

C14H33N2+ — CID 10422957

IUPACamino-dodecyl-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)N
InChIInChI=1S/C14H33N2/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-15H2,1-3H3/q+1
InChIKeyDWFSJJFSCFUTQV-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.86
Rot. Bonds11

About amino-dodecyl-dimethylazanium

amino-dodecyl-dimethylazanium (PubChem CID 10422957) has the molecular formula C14H33N2+ and a molecular weight of 229.43 g/mol. Its IUPAC name is amino-dodecyl-dimethylazanium.

Molecular Properties

Compound Nameamino-dodecyl-dimethylazanium
PubChem CID10422957
Molecular FormulaC14H33N2+
Molecular Weight229.43 g/mol
Exact Mass229.26
IUPAC Nameamino-dodecyl-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)N
InChIInChI=1S/C14H33N2/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-15H2,1-3H3/q+1
InChIKeyDWFSJJFSCFUTQV-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

amino-dimethyl-pentylazanium
CID 86026537
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptadecyl-dihexadecyl-methylazanium
CID 174998798
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
trimethyl(tetradecyl)azanium
CID 14251

Frequently Asked Questions

What is the IUPAC name of amino-dodecyl-dimethylazanium?
The IUPAC name of amino-dodecyl-dimethylazanium (CID 10422957) is amino-dodecyl-dimethylazanium.
What is the SMILES notation for amino-dodecyl-dimethylazanium?
The canonical SMILES for amino-dodecyl-dimethylazanium is CCCCCCCCCCCC[N+](C)(C)N.
What is the InChIKey of amino-dodecyl-dimethylazanium?
The InChIKey is DWFSJJFSCFUTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N2/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-15H2,1-3H3/q+1.
What are the key properties of amino-dodecyl-dimethylazanium?
amino-dodecyl-dimethylazanium has a molecular weight of 229.43 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino-dodecyl-dimethylazanium is sourced from PubChem (CID 10422957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).