trimethyl-[5-(tridecylamino)hexyl]azanium

C22H49N2+ — CID 141374571

IUPACtrimethyl-[5-(tridecylamino)hexyl]azanium
SMILESCCCCCCCCCCCCCNC(C)CCCC[N+](C)(C)C
InChIInChI=1S/C22H49N2/c1-6-7-8-9-10-11-12-13-14-15-17-20-23-22(2)19-16-18-21-24(3,4)5/h22-23H,6-21H2,1-5H3/q+1
InChIKeyJUVBIFXODLTRLD-UHFFFAOYSA-N
MW341.65 g/mol
LogP6.15
Rot. Bonds18

About trimethyl-[5-(tridecylamino)hexyl]azanium

trimethyl-[5-(tridecylamino)hexyl]azanium (PubChem CID 141374571) has the molecular formula C22H49N2+ and a molecular weight of 341.65 g/mol. Its IUPAC name is trimethyl-[5-(tridecylamino)hexyl]azanium.

Molecular Properties

Compound Nametrimethyl-[5-(tridecylamino)hexyl]azanium
PubChem CID141374571
Molecular FormulaC22H49N2+
Molecular Weight341.65 g/mol
Exact Mass341.39
IUPAC Nametrimethyl-[5-(tridecylamino)hexyl]azanium
SMILESCCCCCCCCCCCCCNC(C)CCCC[N+](C)(C)C
InChIInChI=1S/C22H49N2/c1-6-7-8-9-10-11-12-13-14-15-17-20-23-22(2)19-16-18-21-24(3,4)5/h22-23H,6-21H2,1-5H3/q+1
InChIKeyJUVBIFXODLTRLD-UHFFFAOYSA-N
XLogP6.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.65
LogP ≤ 56.15
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-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N-propylnonan-2-amine
CID 43129664
N-pentan-2-ylheptan-1-amine
CID 43129169
N'-dodecan-2-ylpentane-1,5-diamine
CID 175187271
trimethyl(15-methyltricosyl)azanium
CID 23293385
(2S)-4-[[(2R)-octan-2-yl]amino]butan-2-ol
CID 96784182
(4R)-4-(octylamino)pentan-1-ol
CID 98118615
2-methyl-5-(nonan-2-ylamino)pentan-1-ol
CID 104862242

Frequently Asked Questions

What is the IUPAC name of trimethyl-[5-(tridecylamino)hexyl]azanium?
The IUPAC name of trimethyl-[5-(tridecylamino)hexyl]azanium (CID 141374571) is trimethyl-[5-(tridecylamino)hexyl]azanium.
What is the SMILES notation for trimethyl-[5-(tridecylamino)hexyl]azanium?
The canonical SMILES for trimethyl-[5-(tridecylamino)hexyl]azanium is CCCCCCCCCCCCCNC(C)CCCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[5-(tridecylamino)hexyl]azanium?
The InChIKey is JUVBIFXODLTRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49N2/c1-6-7-8-9-10-11-12-13-14-15-17-20-23-22(2)19-16-18-21-24(3,4)5/h22-23H,6-21H2,1-5H3/q+1.
What are the key properties of trimethyl-[5-(tridecylamino)hexyl]azanium?
trimethyl-[5-(tridecylamino)hexyl]azanium has a molecular weight of 341.65 g/mol, XLogP of 6.15, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[5-(tridecylamino)hexyl]azanium is sourced from PubChem (CID 141374571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).