triethyl-[2-(heptanoylamino)ethyl]azanium

C15H33N2O+ — CID 101274921

IUPACtriethyl-[2-(heptanoylamino)ethyl]azanium
SMILESCCCCCCC(=O)NCC[N+](CC)(CC)CC
InChIInChI=1S/C15H32N2O/c1-5-9-10-11-12-15(18)16-13-14-17(6-2,7-3)8-4/h5-14H2,1-4H3/p+1
InChIKeyOTZXPYANNRFZDS-UHFFFAOYSA-O
MW257.44 g/mol
LogP2.95
Rot. Bonds11

About triethyl-[2-(heptanoylamino)ethyl]azanium

triethyl-[2-(heptanoylamino)ethyl]azanium (PubChem CID 101274921) has the molecular formula C15H33N2O+ and a molecular weight of 257.44 g/mol. Its IUPAC name is triethyl-[2-(heptanoylamino)ethyl]azanium.

Molecular Properties

Compound Nametriethyl-[2-(heptanoylamino)ethyl]azanium
PubChem CID101274921
Molecular FormulaC15H33N2O+
Molecular Weight257.44 g/mol
Exact Mass257.26
IUPAC Nametriethyl-[2-(heptanoylamino)ethyl]azanium
SMILESCCCCCCC(=O)NCC[N+](CC)(CC)CC
InChIInChI=1S/C15H32N2O/c1-5-9-10-11-12-15(18)16-13-14-17(6-2,7-3)8-4/h5-14H2,1-4H3/p+1
InChIKeyOTZXPYANNRFZDS-UHFFFAOYSA-O
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.95
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

3-(docosanoylamino)propyl-triethylazanium chloride
CID 175534194
diethyl-methyl-[2-(octadecanoylamino)ethyl]azanium
CID 10530088
2-(heptanoylamino)ethyl-trimethylazanium
CID 101274918
dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium
CID 166487544
ethane;N-propylheptanamide
CID 145289188
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
bis[2-(dodecanoylamino)ethyl]-dimethylazanium chloride
CID 87131100
sodium;hydride;N-propyldodecanamide
CID 172999662
N-hexadecylhexanamide
CID 4953738
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556

Frequently Asked Questions

What is the IUPAC name of triethyl-[2-(heptanoylamino)ethyl]azanium?
The IUPAC name of triethyl-[2-(heptanoylamino)ethyl]azanium (CID 101274921) is triethyl-[2-(heptanoylamino)ethyl]azanium.
What is the SMILES notation for triethyl-[2-(heptanoylamino)ethyl]azanium?
The canonical SMILES for triethyl-[2-(heptanoylamino)ethyl]azanium is CCCCCCC(=O)NCC[N+](CC)(CC)CC.
What is the InChIKey of triethyl-[2-(heptanoylamino)ethyl]azanium?
The InChIKey is OTZXPYANNRFZDS-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H32N2O/c1-5-9-10-11-12-15(18)16-13-14-17(6-2,7-3)8-4/h5-14H2,1-4H3/p+1.
What are the key properties of triethyl-[2-(heptanoylamino)ethyl]azanium?
triethyl-[2-(heptanoylamino)ethyl]azanium has a molecular weight of 257.44 g/mol, XLogP of 2.95, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[2-(heptanoylamino)ethyl]azanium is sourced from PubChem (CID 101274921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).