N,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine

C28H30N2P2 — CID 11181471

IUPACN,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30N2P2/c1-29(31(25-15-7-3-8-16-25)26-17-9-4-10-18-26)23-24-30(2)32(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,23-24H2,1-2H3
InChIKeyIHWJVPIVZJQJAJ-UHFFFAOYSA-N
MW456.51 g/mol
LogP4.95
Rot. Bonds9

About N,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine

N,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 11181471) has the molecular formula C28H30N2P2 and a molecular weight of 456.51 g/mol. Its IUPAC name is N,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID11181471
Molecular FormulaC28H30N2P2
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC NameN,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30N2P2/c1-29(31(25-15-7-3-8-16-25)26-17-9-4-10-18-26)23-24-30(2)32(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,23-24H2,1-2H3
InChIKeyIHWJVPIVZJQJAJ-UHFFFAOYSA-N
XLogP4.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine (CID 11181471) is N,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine is CN(CCN(C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is IHWJVPIVZJQJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2P2/c1-29(31(25-15-7-3-8-16-25)26-17-9-4-10-18-26)23-24-30(2)32(27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22H,23-24H2,1-2H3.
What are the key properties of N,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine?
N,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 456.51 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(diphenylphosphanyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 11181471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).