1-[dodecyl(methyl)amino]ethyl-trimethylazanium

C18H41N2+ — CID 141440762

IUPAC1-[dodecyl(methyl)amino]ethyl-trimethylazanium
SMILESCCCCCCCCCCCCN(C)C(C)[N+](C)(C)C
InChIInChI=1S/C18H41N2/c1-7-8-9-10-11-12-13-14-15-16-17-19(3)18(2)20(4,5)6/h18H,7-17H2,1-6H3/q+1
InChIKeyUKBOLEJXIYCLKK-UHFFFAOYSA-N
MW285.54 g/mol
LogP4.89
Rot. Bonds13

About 1-[dodecyl(methyl)amino]ethyl-trimethylazanium

1-[dodecyl(methyl)amino]ethyl-trimethylazanium (PubChem CID 141440762) has the molecular formula C18H41N2+ and a molecular weight of 285.54 g/mol. Its IUPAC name is 1-[dodecyl(methyl)amino]ethyl-trimethylazanium.

Molecular Properties

Compound Name1-[dodecyl(methyl)amino]ethyl-trimethylazanium
PubChem CID141440762
Molecular FormulaC18H41N2+
Molecular Weight285.54 g/mol
Exact Mass285.33
IUPAC Name1-[dodecyl(methyl)amino]ethyl-trimethylazanium
SMILESCCCCCCCCCCCCN(C)C(C)[N+](C)(C)C
InChIInChI=1S/C18H41N2/c1-7-8-9-10-11-12-13-14-15-16-17-19(3)18(2)20(4,5)6/h18H,7-17H2,1-6H3/q+1
InChIKeyUKBOLEJXIYCLKK-UHFFFAOYSA-N
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.54
LogP ≤ 54.89
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

N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
1-[dodecyl(methyl)amino]propane-1,2-diol
CID 129203951
1-[decyl(methyl)amino]propan-1-ol;hydrochloride
CID 175358956
N-(1-bromopropan-2-yl)-N-methyldodecan-1-amine
CID 104554825
2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816
N-(1-bromopropan-2-yl)-N-methylheptan-1-amine
CID 104554827
1-[methyl(pentyl)amino]propan-1-ol
CID 87216398
3-[dodecyl(methyl)amino]butanenitrile
CID 63517586
formic acid;N-methyl-N-propan-2-ylhexan-1-amine
CID 169177535
3-[decyl(methyl)amino]butanethioamide
CID 63512531

Frequently Asked Questions

What is the IUPAC name of 1-[dodecyl(methyl)amino]ethyl-trimethylazanium?
The IUPAC name of 1-[dodecyl(methyl)amino]ethyl-trimethylazanium (CID 141440762) is 1-[dodecyl(methyl)amino]ethyl-trimethylazanium.
What is the SMILES notation for 1-[dodecyl(methyl)amino]ethyl-trimethylazanium?
The canonical SMILES for 1-[dodecyl(methyl)amino]ethyl-trimethylazanium is CCCCCCCCCCCCN(C)C(C)[N+](C)(C)C.
What is the InChIKey of 1-[dodecyl(methyl)amino]ethyl-trimethylazanium?
The InChIKey is UKBOLEJXIYCLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41N2/c1-7-8-9-10-11-12-13-14-15-16-17-19(3)18(2)20(4,5)6/h18H,7-17H2,1-6H3/q+1.
What are the key properties of 1-[dodecyl(methyl)amino]ethyl-trimethylazanium?
1-[dodecyl(methyl)amino]ethyl-trimethylazanium has a molecular weight of 285.54 g/mol, XLogP of 4.89, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dodecyl(methyl)amino]ethyl-trimethylazanium is sourced from PubChem (CID 141440762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).