N,N-bis(diphenylphosphanyl)ethanamine

C26H25NP2 — CID 603666

IUPACN,N-bis(diphenylphosphanyl)ethanamine
SMILESCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NP2/c1-2-27(28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,2H2,1H3
InChIKeyZEGLKJOHRKSCPN-UHFFFAOYSA-N
MW413.44 g/mol
LogP5.40
Rot. Bonds7

About N,N-bis(diphenylphosphanyl)ethanamine

N,N-bis(diphenylphosphanyl)ethanamine (PubChem CID 603666) has the molecular formula C26H25NP2 and a molecular weight of 413.44 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)ethanamine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)ethanamine
PubChem CID603666
Molecular FormulaC26H25NP2
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC NameN,N-bis(diphenylphosphanyl)ethanamine
SMILESCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25NP2/c1-2-27(28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,2H2,1H3
InChIKeyZEGLKJOHRKSCPN-UHFFFAOYSA-N
XLogP5.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.44
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)ethanamine?
The IUPAC name of N,N-bis(diphenylphosphanyl)ethanamine (CID 603666) is N,N-bis(diphenylphosphanyl)ethanamine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)ethanamine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)ethanamine is CCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)ethanamine?
The InChIKey is ZEGLKJOHRKSCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NP2/c1-2-27(28(23-15-7-3-8-16-23)24-17-9-4-10-18-24)29(25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,2H2,1H3.
What are the key properties of N,N-bis(diphenylphosphanyl)ethanamine?
N,N-bis(diphenylphosphanyl)ethanamine has a molecular weight of 413.44 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)ethanamine is sourced from PubChem (CID 603666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).