3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine

C21H48N3P — CID 54568568

IUPAC3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCP(CCCN(CC)CC)CCCN(CC)CC
InChIInChI=1S/C21H48N3P/c1-7-22(8-2)16-13-19-25(20-14-17-23(9-3)10-4)21-15-18-24(11-5)12-6/h7-21H2,1-6H3
InChIKeyZVOXRTKTNXILGY-UHFFFAOYSA-N
MW373.61 g/mol
LogP4.66
Rot. Bonds18

About 3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine

3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine (PubChem CID 54568568) has the molecular formula C21H48N3P and a molecular weight of 373.61 g/mol. Its IUPAC name is 3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine
PubChem CID54568568
Molecular FormulaC21H48N3P
Molecular Weight373.61 g/mol
Exact Mass373.36
IUPAC Name3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCP(CCCN(CC)CC)CCCN(CC)CC
InChIInChI=1S/C21H48N3P/c1-7-22(8-2)16-13-19-25(20-14-17-23(9-3)10-4)21-15-18-24(11-5)12-6/h7-21H2,1-6H3
InChIKeyZVOXRTKTNXILGY-UHFFFAOYSA-N
XLogP4.66
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-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

Frequently Asked Questions

What is the IUPAC name of 3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine (CID 54568568) is 3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine is CCN(CC)CCCP(CCCN(CC)CC)CCCN(CC)CC.
What is the InChIKey of 3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine?
The InChIKey is ZVOXRTKTNXILGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48N3P/c1-7-22(8-2)16-13-19-25(20-14-17-23(9-3)10-4)21-15-18-24(11-5)12-6/h7-21H2,1-6H3.
What are the key properties of 3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine?
3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine has a molecular weight of 373.61 g/mol, XLogP of 4.66, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[3-(diethylamino)propyl]phosphanyl]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 54568568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).