3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine

C13H31NP2 — CID 87179869

IUPAC3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine
SMILESCCP(CC)CCCNCCP(CC)CC
InChIInChI=1S/C13H31NP2/c1-5-15(6-2)12-9-10-14-11-13-16(7-3)8-4/h14H,5-13H2,1-4H3
InChIKeyFCYDEMMZBDJVDH-UHFFFAOYSA-N
MW263.35 g/mol
LogP4.01
Rot. Bonds11

About 3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine

3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine (PubChem CID 87179869) has the molecular formula C13H31NP2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine.

Molecular Properties

Compound Name3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine
PubChem CID87179869
Molecular FormulaC13H31NP2
Molecular Weight263.35 g/mol
Exact Mass263.19
IUPAC Name3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine
SMILESCCP(CC)CCCNCCP(CC)CC
InChIInChI=1S/C13H31NP2/c1-5-15(6-2)12-9-10-14-11-13-16(7-3)8-4/h14H,5-13H2,1-4H3
InChIKeyFCYDEMMZBDJVDH-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine?
The IUPAC name of 3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine (CID 87179869) is 3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine.
What is the SMILES notation for 3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine?
The canonical SMILES for 3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine is CCP(CC)CCCNCCP(CC)CC.
What is the InChIKey of 3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine?
The InChIKey is FCYDEMMZBDJVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31NP2/c1-5-15(6-2)12-9-10-14-11-13-16(7-3)8-4/h14H,5-13H2,1-4H3.
What are the key properties of 3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine?
3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine has a molecular weight of 263.35 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethylphosphanyl-N-(2-diethylphosphanylethyl)propan-1-amine is sourced from PubChem (CID 87179869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).