azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+)

C14H26N2O6P2Pt — CID 25169005

IUPACazane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+)
SMILESCCOP(=O)([O-])C(N(CC)Cc1ccccc1)P(=O)([O-])OCC.N.[Pt+2]
InChIInChI=1S/C14H25NO6P2.H3N.Pt/c1-4-15(12-13-10-8-7-9-11-13)14(22(16,17)20-5-2)23(18,19)21-6-3;;/h7-11,14H,4-6,12H2,1-3H3,(H,16,17)(H,18,19);1H3;/q;;+2/p-2
InChIKeyQIAAUSBRXHJRGE-UHFFFAOYSA-L
MW575.40 g/mol
LogP2.13
Rot. Bonds10

About azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+)

azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+) (PubChem CID 25169005) has the molecular formula C14H26N2O6P2Pt and a molecular weight of 575.40 g/mol. Its IUPAC name is azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+).

Molecular Properties

Compound Nameazane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+)
PubChem CID25169005
Molecular FormulaC14H26N2O6P2Pt
Molecular Weight575.40 g/mol
Exact Mass575.09
IUPAC Nameazane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+)
SMILESCCOP(=O)([O-])C(N(CC)Cc1ccccc1)P(=O)([O-])OCC.N.[Pt+2]
InChIInChI=1S/C14H25NO6P2.H3N.Pt/c1-4-15(12-13-10-8-7-9-11-13)14(22(16,17)20-5-2)23(18,19)21-6-3;;/h7-11,14H,4-6,12H2,1-3H3,(H,16,17)(H,18,19);1H3;/q;;+2/p-2
InChIKeyQIAAUSBRXHJRGE-UHFFFAOYSA-L
XLogP2.13
TPSA136.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+) with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-N-diethoxyphosphorylethanamine
CID 13268716
(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-2-phenylethanol
CID 11314906
N-benzyl-ethoxy-N-[hydroxy(methyl)phosphoryl]phosphonamidic acid
CID 58140309
N,N-dibenzyl-2-diethoxyphosphorylacetamide
CID 11100843
(2S)-2-[benzyl(diethoxyphosphorylmethyl)amino]-3-phenylpropan-1-ol
CID 12965017
N,N-dibenzyl-1,1-diethoxymethanamine
CID 71360875
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
1-dimethoxyphosphoryl-N,N-diethyl-2-phenylethanamine
CID 134929442
2-[benzyl(ethyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 84751344
(1R,2S)-2-(dibenzylamino)-1-[ethoxy(prop-2-enyl)phosphoryl]-3-phenylpropan-1-ol
CID 101231689
disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride
CID 174826908
ethoxy-[(R)-phenyl-(phenylazaniumyl)methyl]phosphinate
CID 139059161

Frequently Asked Questions

What is the IUPAC name of azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+)?
The IUPAC name of azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+) (CID 25169005) is azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+).
What is the SMILES notation for azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+)?
The canonical SMILES for azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+) is CCOP(=O)([O-])C(N(CC)Cc1ccccc1)P(=O)([O-])OCC.N.[Pt+2].
What is the InChIKey of azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+)?
The InChIKey is QIAAUSBRXHJRGE-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H25NO6P2.H3N.Pt/c1-4-15(12-13-10-8-7-9-11-13)14(22(16,17)20-5-2)23(18,19)21-6-3;;/h7-11,14H,4-6,12H2,1-3H3,(H,16,17)(H,18,19);1H3;/q;;+2/p-2.
What are the key properties of azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+)?
azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+) has a molecular weight of 575.40 g/mol, XLogP of 2.13, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[[benzyl(ethyl)amino]-[ethoxy(oxido)phosphoryl]methyl]-ethoxyphosphinate;platinum(2+) is sourced from PubChem (CID 25169005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).