2-(dimethylamino)ethyl ditetradecyl phosphate

C32H68NO4P — CID 170237074

IUPAC2-(dimethylamino)ethyl ditetradecyl phosphate
SMILESCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCC)OCCN(C)C
InChIInChI=1S/C32H68NO4P/c1-5-7-9-11-13-15-17-19-21-23-25-27-30-35-38(34,37-32-29-33(3)4)36-31-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-32H2,1-4H3
InChIKeyLWDKCXHXOFQQAO-UHFFFAOYSA-N
MW561.87 g/mol
LogP11.11
Rot. Bonds32

About 2-(dimethylamino)ethyl ditetradecyl phosphate

2-(dimethylamino)ethyl ditetradecyl phosphate (PubChem CID 170237074) has the molecular formula C32H68NO4P and a molecular weight of 561.87 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl ditetradecyl phosphate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl ditetradecyl phosphate
PubChem CID170237074
Molecular FormulaC32H68NO4P
Molecular Weight561.87 g/mol
Exact Mass561.49
IUPAC Name2-(dimethylamino)ethyl ditetradecyl phosphate
SMILESCCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCC)OCCN(C)C
InChIInChI=1S/C32H68NO4P/c1-5-7-9-11-13-15-17-19-21-23-25-27-30-35-38(34,37-32-29-33(3)4)36-31-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-32H2,1-4H3
InChIKeyLWDKCXHXOFQQAO-UHFFFAOYSA-N
XLogP11.11
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds32
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.87
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)ethyl ditetradecyl phosphate 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

dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
diheptyl propyl phosphate
CID 22497721
potassium tris-decyl phosphate
CID 21118666
methane;trioctyl phosphate
CID 174464331
alumane;trioctyl phosphate
CID 175071420
dibutyl decyl phosphate
CID 19784867
butyl dihexyl phosphate
CID 22497695
azane;didodecyl ethyl phosphate
CID 170436215
tris(3-pentadecoxypropyl) phosphate
CID 126525532
bis(2-bromoethyl) undecyl phosphate
CID 54074292
2-hydroxyethyl ditridecyl phosphate
CID 86141691

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl ditetradecyl phosphate?
The IUPAC name of 2-(dimethylamino)ethyl ditetradecyl phosphate (CID 170237074) is 2-(dimethylamino)ethyl ditetradecyl phosphate.
What is the SMILES notation for 2-(dimethylamino)ethyl ditetradecyl phosphate?
The canonical SMILES for 2-(dimethylamino)ethyl ditetradecyl phosphate is CCCCCCCCCCCCCCOP(=O)(OCCCCCCCCCCCCCC)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl ditetradecyl phosphate?
The InChIKey is LWDKCXHXOFQQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H68NO4P/c1-5-7-9-11-13-15-17-19-21-23-25-27-30-35-38(34,37-32-29-33(3)4)36-31-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-32H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl ditetradecyl phosphate?
2-(dimethylamino)ethyl ditetradecyl phosphate has a molecular weight of 561.87 g/mol, XLogP of 11.11, 32 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl ditetradecyl phosphate is sourced from PubChem (CID 170237074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).