N,N-bis(diphenylphosphanyl)propan-1-amine

C27H27NP2 — CID 603415

IUPACN,N-bis(diphenylphosphanyl)propan-1-amine
SMILESCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27NP2/c1-2-23-28(29(24-15-7-3-8-16-24)25-17-9-4-10-18-25)30(26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,2,23H2,1H3
InChIKeyZSTYMSDJISVDKS-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.79
Rot. Bonds8

About N,N-bis(diphenylphosphanyl)propan-1-amine

N,N-bis(diphenylphosphanyl)propan-1-amine (PubChem CID 603415) has the molecular formula C27H27NP2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N,N-bis(diphenylphosphanyl)propan-1-amine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphanyl)propan-1-amine
PubChem CID603415
Molecular FormulaC27H27NP2
Molecular Weight427.47 g/mol
Exact Mass427.16
IUPAC NameN,N-bis(diphenylphosphanyl)propan-1-amine
SMILESCCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27NP2/c1-2-23-28(29(24-15-7-3-8-16-24)25-17-9-4-10-18-25)30(26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,2,23H2,1H3
InChIKeyZSTYMSDJISVDKS-UHFFFAOYSA-N
XLogP5.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 55.79
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)propan-1-amine?
The IUPAC name of N,N-bis(diphenylphosphanyl)propan-1-amine (CID 603415) is N,N-bis(diphenylphosphanyl)propan-1-amine.
What is the SMILES notation for N,N-bis(diphenylphosphanyl)propan-1-amine?
The canonical SMILES for N,N-bis(diphenylphosphanyl)propan-1-amine is CCCN(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(diphenylphosphanyl)propan-1-amine?
The InChIKey is ZSTYMSDJISVDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NP2/c1-2-23-28(29(24-15-7-3-8-16-24)25-17-9-4-10-18-25)30(26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-22H,2,23H2,1H3.
What are the key properties of N,N-bis(diphenylphosphanyl)propan-1-amine?
N,N-bis(diphenylphosphanyl)propan-1-amine has a molecular weight of 427.47 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphanyl)propan-1-amine is sourced from PubChem (CID 603415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).