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

C29H31NO2P2 — CID 12987932

IUPACN,N-bis(diphenylphosphorylmethyl)propan-1-amine
SMILESCCCN(CP(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31NO2P2/c1-2-23-30(24-33(31,26-15-7-3-8-16-26)27-17-9-4-10-18-27)25-34(32,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22H,2,23-25H2,1H3
InChIKeyGZBTVAWARWCMJE-UHFFFAOYSA-N
MW487.52 g/mol
LogP5.64
Rot. Bonds10

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

N,N-bis(diphenylphosphorylmethyl)propan-1-amine (PubChem CID 12987932) has the molecular formula C29H31NO2P2 and a molecular weight of 487.52 g/mol. Its IUPAC name is N,N-bis(diphenylphosphorylmethyl)propan-1-amine.

Molecular Properties

Compound NameN,N-bis(diphenylphosphorylmethyl)propan-1-amine
PubChem CID12987932
Molecular FormulaC29H31NO2P2
Molecular Weight487.52 g/mol
Exact Mass487.18
IUPAC NameN,N-bis(diphenylphosphorylmethyl)propan-1-amine
SMILESCCCN(CP(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H31NO2P2/c1-2-23-30(24-33(31,26-15-7-3-8-16-26)27-17-9-4-10-18-27)25-34(32,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22H,2,23-25H2,1H3
InChIKeyGZBTVAWARWCMJE-UHFFFAOYSA-N
XLogP5.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-bis(diphenylphosphorylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(diphenylphosphorylmethyl)propan-1-amine?
The IUPAC name of N,N-bis(diphenylphosphorylmethyl)propan-1-amine (CID 12987932) is N,N-bis(diphenylphosphorylmethyl)propan-1-amine.
What is the SMILES notation for N,N-bis(diphenylphosphorylmethyl)propan-1-amine?
The canonical SMILES for N,N-bis(diphenylphosphorylmethyl)propan-1-amine is CCCN(CP(=O)(c1ccccc1)c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis(diphenylphosphorylmethyl)propan-1-amine?
The InChIKey is GZBTVAWARWCMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO2P2/c1-2-23-30(24-33(31,26-15-7-3-8-16-26)27-17-9-4-10-18-27)25-34(32,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22H,2,23-25H2,1H3.
What are the key properties of N,N-bis(diphenylphosphorylmethyl)propan-1-amine?
N,N-bis(diphenylphosphorylmethyl)propan-1-amine has a molecular weight of 487.52 g/mol, XLogP of 5.64, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(diphenylphosphorylmethyl)propan-1-amine is sourced from PubChem (CID 12987932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).