12-(ethylamino)dodecyl-trimethylazanium

C17H39N2+ — CID 90351711

IUPAC12-(ethylamino)dodecyl-trimethylazanium
SMILESCCNCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C17H39N2/c1-5-18-16-14-12-10-8-6-7-9-11-13-15-17-19(2,3)4/h18H,5-17H2,1-4H3/q+1
InChIKeyQMFJYRDXZANSPO-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.20
Rot. Bonds14

About 12-(ethylamino)dodecyl-trimethylazanium

12-(ethylamino)dodecyl-trimethylazanium (PubChem CID 90351711) has the molecular formula C17H39N2+ and a molecular weight of 271.51 g/mol. Its IUPAC name is 12-(ethylamino)dodecyl-trimethylazanium.

Molecular Properties

Compound Name12-(ethylamino)dodecyl-trimethylazanium
PubChem CID90351711
Molecular FormulaC17H39N2+
Molecular Weight271.51 g/mol
Exact Mass271.31
IUPAC Name12-(ethylamino)dodecyl-trimethylazanium
SMILESCCNCCCCCCCCCCCC[N+](C)(C)C
InChIInChI=1S/C17H39N2/c1-5-18-16-14-12-10-8-6-7-9-11-13-15-17-19(2,3)4/h18H,5-17H2,1-4H3/q+1
InChIKeyQMFJYRDXZANSPO-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
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

N,N'-diethylpentane-1,5-diamine
CID 15013244
6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride
CID 71315261
trimethyl-[17-(silylmethylamino)heptadecyl]azanium
CID 157156405
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
CID 90351666
CID 90351666
3-(dodecylamino)propyl-trimethylazanium chloride
CID 166791709
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
4-(ethylamino)butyl-trimethylazanium;10-(ethylamino)decyl-trimethylazanium;2-(ethylamino)ethyl-trimethylazanium;7-(ethylamino)heptyl-trimethylazanium;6-(ethylamino)hexyl-trimethylazanium;9-(ethylamino)nonyl-trimethylazanium;8-(ethylamino)octyl-trimethylazanium;5-(ethylamino)pentyl-trimethylazanium;3-(ethylamino)propyl-trimethylazanium;11-(ethylamino)undecyl-trimethylazanium;decakis(2-phenylethylsilane)
CID 158303542
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353

Frequently Asked Questions

What is the IUPAC name of 12-(ethylamino)dodecyl-trimethylazanium?
The IUPAC name of 12-(ethylamino)dodecyl-trimethylazanium (CID 90351711) is 12-(ethylamino)dodecyl-trimethylazanium.
What is the SMILES notation for 12-(ethylamino)dodecyl-trimethylazanium?
The canonical SMILES for 12-(ethylamino)dodecyl-trimethylazanium is CCNCCCCCCCCCCCC[N+](C)(C)C.
What is the InChIKey of 12-(ethylamino)dodecyl-trimethylazanium?
The InChIKey is QMFJYRDXZANSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N2/c1-5-18-16-14-12-10-8-6-7-9-11-13-15-17-19(2,3)4/h18H,5-17H2,1-4H3/q+1.
What are the key properties of 12-(ethylamino)dodecyl-trimethylazanium?
12-(ethylamino)dodecyl-trimethylazanium has a molecular weight of 271.51 g/mol, XLogP of 4.20, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(ethylamino)dodecyl-trimethylazanium is sourced from PubChem (CID 90351711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).