trimethyl(1-tridecoxyethyl)azanium

C18H40NO+ — CID 19964271

IUPACtrimethyl(1-tridecoxyethyl)azanium
SMILESCCCCCCCCCCCCCOC(C)[N+](C)(C)C
InChIInChI=1S/C18H40NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19(3,4)5/h18H,6-17H2,1-5H3/q+1
InChIKeyJBQDDCJYVCFPOK-UHFFFAOYSA-N
MW286.52 g/mol
LogP5.37
Rot. Bonds14

About trimethyl(1-tridecoxyethyl)azanium

trimethyl(1-tridecoxyethyl)azanium (PubChem CID 19964271) has the molecular formula C18H40NO+ and a molecular weight of 286.52 g/mol. Its IUPAC name is trimethyl(1-tridecoxyethyl)azanium.

Molecular Properties

Compound Nametrimethyl(1-tridecoxyethyl)azanium
PubChem CID19964271
Molecular FormulaC18H40NO+
Molecular Weight286.52 g/mol
Exact Mass286.31
IUPAC Nametrimethyl(1-tridecoxyethyl)azanium
SMILESCCCCCCCCCCCCCOC(C)[N+](C)(C)C
InChIInChI=1S/C18H40NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19(3,4)5/h18H,6-17H2,1-5H3/q+1
InChIKeyJBQDDCJYVCFPOK-UHFFFAOYSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.52
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl(1-tetradecoxyethyl)azanium
CID 19964252
dimethyl-bis(1-octadecoxyethyl)azanium chloride
CID 19357529
1-hexadecoxybutyl(trimethyl)azanium
CID 175044547
(2-hydroxy-1-pentoxypropyl)-trimethylazanium
CID 174548714
1-heptacontoxyethanol
CID 169098461
1-(1-fluoroethoxy)tridecane
CID 175410550
[(2S,3R)-2,3-didodecoxy-4-(trimethylazaniumyl)butyl]-trimethylazanium
CID 100928868
dimethyl-bis(1-octadecoxypropyl)azanium
CID 146225561
1-(difluoromethoxy)decane
CID 14400535
1-hexan-2-yloxydecane
CID 57029724
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
1-octan-2-yloxydecane
CID 86220707

Frequently Asked Questions

What is the IUPAC name of trimethyl(1-tridecoxyethyl)azanium?
The IUPAC name of trimethyl(1-tridecoxyethyl)azanium (CID 19964271) is trimethyl(1-tridecoxyethyl)azanium.
What is the SMILES notation for trimethyl(1-tridecoxyethyl)azanium?
The canonical SMILES for trimethyl(1-tridecoxyethyl)azanium is CCCCCCCCCCCCCOC(C)[N+](C)(C)C.
What is the InChIKey of trimethyl(1-tridecoxyethyl)azanium?
The InChIKey is JBQDDCJYVCFPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40NO/c1-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19(3,4)5/h18H,6-17H2,1-5H3/q+1.
What are the key properties of trimethyl(1-tridecoxyethyl)azanium?
trimethyl(1-tridecoxyethyl)azanium has a molecular weight of 286.52 g/mol, XLogP of 5.37, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-tridecoxyethyl)azanium is sourced from PubChem (CID 19964271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).