4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine

C15H35NO5P2 — CID 87357512

IUPAC4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine
SMILESCOC(CPCCC(CN)(CCPCC(OC)OC)OC)OC
InChIInChI=1S/C15H35NO5P2/c1-17-13(18-2)10-22-8-6-15(12-16,21-5)7-9-23-11-14(19-3)20-4/h13-14,22-23H,6-12,16H2,1-5H3
InChIKeyJOEOSNDCLNHEOD-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.71
Rot. Bonds16

About 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine

4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine (PubChem CID 87357512) has the molecular formula C15H35NO5P2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine.

Molecular Properties

Compound Name4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine
PubChem CID87357512
Molecular FormulaC15H35NO5P2
Molecular Weight371.40 g/mol
Exact Mass371.20
IUPAC Name4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine
SMILESCOC(CPCCC(CN)(CCPCC(OC)OC)OC)OC
InChIInChI=1S/C15H35NO5P2/c1-17-13(18-2)10-22-8-6-15(12-16,21-5)7-9-23-11-14(19-3)20-4/h13-14,22-23H,6-12,16H2,1-5H3
InChIKeyJOEOSNDCLNHEOD-UHFFFAOYSA-N
XLogP1.71
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-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 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine?
The IUPAC name of 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine (CID 87357512) is 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine.
What is the SMILES notation for 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine?
The canonical SMILES for 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine is COC(CPCCC(CN)(CCPCC(OC)OC)OC)OC.
What is the InChIKey of 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine?
The InChIKey is JOEOSNDCLNHEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35NO5P2/c1-17-13(18-2)10-22-8-6-15(12-16,21-5)7-9-23-11-14(19-3)20-4/h13-14,22-23H,6-12,16H2,1-5H3.
What are the key properties of 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine?
4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine has a molecular weight of 371.40 g/mol, XLogP of 1.71, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine is sourced from PubChem (CID 87357512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).