dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium

C34H70N3O2+ — CID 166487544

IUPACdimethyl-bis[2-(tetradecanoylamino)ethyl]azanium
SMILESCCCCCCCCCCCCCC(=O)NCC[N+](C)(C)CCNC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C34H69N3O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-33(38)35-29-31-37(3,4)32-30-36-34(39)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-32H2,1-4H3,(H-,35,36,38,39)/p+1
InChIKeyYFYVKKXHFIAWPD-UHFFFAOYSA-O
MW552.95 g/mol
LogP8.70
Rot. Bonds30

About dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium

dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium (PubChem CID 166487544) has the molecular formula C34H70N3O2+ and a molecular weight of 552.95 g/mol. Its IUPAC name is dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium.

Molecular Properties

Compound Namedimethyl-bis[2-(tetradecanoylamino)ethyl]azanium
PubChem CID166487544
Molecular FormulaC34H70N3O2+
Molecular Weight552.95 g/mol
Exact Mass552.55
IUPAC Namedimethyl-bis[2-(tetradecanoylamino)ethyl]azanium
SMILESCCCCCCCCCCCCCC(=O)NCC[N+](C)(C)CCNC(=O)CCCCCCCCCCCCC
InChIInChI=1S/C34H69N3O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-33(38)35-29-31-37(3,4)32-30-36-34(39)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-32H2,1-4H3,(H-,35,36,38,39)/p+1
InChIKeyYFYVKKXHFIAWPD-UHFFFAOYSA-O
XLogP8.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.95
LogP ≤ 58.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[2-(dodecanoylamino)ethyl]-dimethylazanium chloride
CID 87131100
2-[2-(decanoylamino)ethyl-dimethylazaniumyl]ethanolate
CID 10469263
dimethyl-[3-(octadecanoylamino)propyl]-octadecylazanium
CID 22757067
2-(heptanoylamino)ethyl-trimethylazanium
CID 101274918
3-(dodecanoylamino)propyl-dimethyl-tetradecylazanium chloride
CID 88804757
hexyl-dimethyl-[2-(undec-10-enoylamino)ethyl]azanium
CID 3344491
diethyl-methyl-[2-(octadecanoylamino)ethyl]azanium
CID 10530088
dimethyl-octyl-[2-(undec-10-enoylamino)ethyl]azanium bromide
CID 15007478
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
2-hydroxyethyl-dimethyl-[3-(octadecanoylamino)propyl]azanium iodide
CID 141035948
triethyl-[2-(heptanoylamino)ethyl]azanium
CID 101274921
carboxymethyl-dimethyl-[2-(5-tetradecoxypentanoylamino)ethyl]azanium
CID 139603353

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium?
The IUPAC name of dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium (CID 166487544) is dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium.
What is the SMILES notation for dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium?
The canonical SMILES for dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium is CCCCCCCCCCCCCC(=O)NCC[N+](C)(C)CCNC(=O)CCCCCCCCCCCCC.
What is the InChIKey of dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium?
The InChIKey is YFYVKKXHFIAWPD-UHFFFAOYSA-O. The full InChI is InChI=1S/C34H69N3O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-33(38)35-29-31-37(3,4)32-30-36-34(39)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-32H2,1-4H3,(H-,35,36,38,39)/p+1.
What are the key properties of dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium?
dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium has a molecular weight of 552.95 g/mol, XLogP of 8.70, 30 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis[2-(tetradecanoylamino)ethyl]azanium is sourced from PubChem (CID 166487544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).