N-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine

C8H20ClN2PSe — CID 2785390

IUPACN-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine
SMILESCCN(CC)P(Cl)(=[Se])N(CC)CC
InChIInChI=1S/C8H20ClN2PSe/c1-5-10(6-2)12(9,13)11(7-3)8-4/h5-8H2,1-4H3
InChIKeyOFGHZJFJKAGZDQ-UHFFFAOYSA-N
MW289.65 g/mol
LogP2.75
Rot. Bonds6

About N-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine

N-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine (PubChem CID 2785390) has the molecular formula C8H20ClN2PSe and a molecular weight of 289.65 g/mol. Its IUPAC name is N-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine
PubChem CID2785390
Molecular FormulaC8H20ClN2PSe
Molecular Weight289.65 g/mol
Exact Mass290.02
IUPAC NameN-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine
SMILESCCN(CC)P(Cl)(=[Se])N(CC)CC
InChIInChI=1S/C8H20ClN2PSe/c1-5-10(6-2)12(9,13)11(7-3)8-4/h5-8H2,1-4H3
InChIKeyOFGHZJFJKAGZDQ-UHFFFAOYSA-N
XLogP2.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.65
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine 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

dichloro-ethyl-selanylidene-lambda5-phosphane
CID 518992
N-[dichloro-[chloro(fluoro)phosphoryl]imino-λ5-phosphanyl]-N-ethylethanamine
CID 23417509
N-[tert-butylimino-chloro-(dichloromethyl)-lambda5-phosphanyl]-N-ethylethanamine
CID 13354586
CID 16557825
CID 16557825
N-[[bis(trimethylsilyl)amino]-chloro-trimethylsilylimino-λ5-phosphanyl]-N-ethylethanamine
CID 12922184
bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium
CID 54312217
dichlorocopper;N,N-diethylethanamine
CID 88694959
N-[chloromethyl(methoxy)phosphoryl]-N-ethylethanamine
CID 23268991
N-diaminophosphoryl-N-ethylethanamine;dihydrochloride
CID 172846789
N-[chloro(diethylamino)phosphoryl]-N-methyl-1-phenylethanamine
CID 71348683
N-[diethylamino(2-phenylethynyl)phosphinoselenoyl]-N-ethylethanamine
CID 134869608
N-ethyl-N-[propan-2-yl(propan-2-yloxy)phosphoryl]ethanamine
CID 170850878

Frequently Asked Questions

What is the IUPAC name of N-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine?
The IUPAC name of N-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine (CID 2785390) is N-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine.
What is the SMILES notation for N-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine?
The canonical SMILES for N-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine is CCN(CC)P(Cl)(=[Se])N(CC)CC.
What is the InChIKey of N-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine?
The InChIKey is OFGHZJFJKAGZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20ClN2PSe/c1-5-10(6-2)12(9,13)11(7-3)8-4/h5-8H2,1-4H3.
What are the key properties of N-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine?
N-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine has a molecular weight of 289.65 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(diethylamino)phosphinoselenoyl]-N-ethylethanamine is sourced from PubChem (CID 2785390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).