N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine

C30H34N2P2 — CID 87094669

IUPACN,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine
SMILESCC(NCCNC(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34N2P2/c1-25(33(27-15-7-3-8-16-27)28-17-9-4-10-18-28)31-23-24-32-26(2)34(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,25-26,31-32H,23-24H2,1-2H3
InChIKeyMWRNHXFOBLOKTA-UHFFFAOYSA-N
MW484.56 g/mol
LogP5.12
Rot. Bonds11

About N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine

N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine (PubChem CID 87094669) has the molecular formula C30H34N2P2 and a molecular weight of 484.56 g/mol. Its IUPAC name is N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine
PubChem CID87094669
Molecular FormulaC30H34N2P2
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC NameN,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine
SMILESCC(NCCNC(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H34N2P2/c1-25(33(27-15-7-3-8-16-27)28-17-9-4-10-18-28)31-23-24-32-26(2)34(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,25-26,31-32H,23-24H2,1-2H3
InChIKeyMWRNHXFOBLOKTA-UHFFFAOYSA-N
XLogP5.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
2-diphenylphosphanyl-N-(2-diphenylphosphanylpropyl)propan-1-amine
CID 76790534
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
1-diphenylphosphanyl-N-(2-phenylethyl)-N'-propan-2-ylmethanediamine
CID 155215939
[(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane
CID 46216943
N-benzyl-1-diphenylphosphanyl-N'-propan-2-ylmethanediamine
CID 153313858
diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
CID 10898452
1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane;nickel
CID 87791528
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
CID 11528005
CID 11528005

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine (CID 87094669) is N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine is CC(NCCNC(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine?
The InChIKey is MWRNHXFOBLOKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2P2/c1-25(33(27-15-7-3-8-16-27)28-17-9-4-10-18-28)31-23-24-32-26(2)34(29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,25-26,31-32H,23-24H2,1-2H3.
What are the key properties of N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine?
N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine has a molecular weight of 484.56 g/mol, XLogP of 5.12, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-diphenylphosphanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 87094669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).