N-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine

C32H72IN4P — CID 12824569

IUPACN-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine
SMILESCCCCN(CCCC)P(I)(N(CCCC)CCCC)(N(CCCC)CCCC)N(CCCC)CCCC
InChIInChI=1S/C32H72IN4P/c1-9-17-25-34(26-18-10-2)38(33,35(27-19-11-3)28-20-12-4,36(29-21-13-5)30-22-14-6)37(31-23-15-7)32-24-16-8/h9-32H2,1-8H3
InChIKeyUEVBMHCLLLDOJI-UHFFFAOYSA-N
MW670.83 g/mol
LogP11.16
Rot. Bonds28

About N-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine

N-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine (PubChem CID 12824569) has the molecular formula C32H72IN4P and a molecular weight of 670.83 g/mol. Its IUPAC name is N-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine
PubChem CID12824569
Molecular FormulaC32H72IN4P
Molecular Weight670.83 g/mol
Exact Mass670.45
IUPAC NameN-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine
SMILESCCCCN(CCCC)P(I)(N(CCCC)CCCC)(N(CCCC)CCCC)N(CCCC)CCCC
InChIInChI=1S/C32H72IN4P/c1-9-17-25-34(26-18-10-2)38(33,35(27-19-11-3)28-20-12-4,36(29-21-13-5)30-22-14-6)37(31-23-15-7)32-24-16-8/h9-32H2,1-8H3
InChIKeyUEVBMHCLLLDOJI-UHFFFAOYSA-N
XLogP11.16
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.83
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine 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

N-butyl-N-[trifluoro(methyl)-λ5-phosphanyl]butan-1-amine
CID 23418081
N-butyl-N-iodobutan-1-amine
CID 19800845
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
1,1,2,2-tetrabutylhydrazine;hydrate
CID 172702997
N',N'-dibutylpropane-1,3-diamine;ethane
CID 170746351
N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924
tris[butyl(methyl)amino]-(dimethylamino)phosphanium iodide
CID 87653156

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine?
The IUPAC name of N-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine (CID 12824569) is N-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine is CCCCN(CCCC)P(I)(N(CCCC)CCCC)(N(CCCC)CCCC)N(CCCC)CCCC.
What is the InChIKey of N-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine?
The InChIKey is UEVBMHCLLLDOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H72IN4P/c1-9-17-25-34(26-18-10-2)38(33,35(27-19-11-3)28-20-12-4,36(29-21-13-5)30-22-14-6)37(31-23-15-7)32-24-16-8/h9-32H2,1-8H3.
What are the key properties of N-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine?
N-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine has a molecular weight of 670.83 g/mol, XLogP of 11.16, 28 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[tris(dibutylamino)-iodo-lambda5-phosphanyl]butan-1-amine is sourced from PubChem (CID 12824569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).