5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine

C19H43NO5P2 — CID 87358088

IUPAC5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine
SMILESCCOC(CCN)(CCPCCC(OC)OC)CCPCCC(OC)OC
InChIInChI=1S/C19H43NO5P2/c1-6-25-19(9-12-20,10-15-26-13-7-17(21-2)22-3)11-16-27-14-8-18(23-4)24-5/h17-18,26-27H,6-16,20H2,1-5H3
InChIKeyYFITVKKGWLFLPW-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.27
Rot. Bonds20

About 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine

5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine (PubChem CID 87358088) has the molecular formula C19H43NO5P2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine.

Molecular Properties

Compound Name5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine
PubChem CID87358088
Molecular FormulaC19H43NO5P2
Molecular Weight427.50 g/mol
Exact Mass427.26
IUPAC Name5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine
SMILESCCOC(CCN)(CCPCCC(OC)OC)CCPCCC(OC)OC
InChIInChI=1S/C19H43NO5P2/c1-6-25-19(9-12-20,10-15-26-13-7-17(21-2)22-3)11-16-27-14-8-18(23-4)24-5/h17-18,26-27H,6-16,20H2,1-5H3
InChIKeyYFITVKKGWLFLPW-UHFFFAOYSA-N
XLogP3.27
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.27
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 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-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 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine?
The IUPAC name of 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine (CID 87358088) is 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine.
What is the SMILES notation for 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine?
The canonical SMILES for 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine is CCOC(CCN)(CCPCCC(OC)OC)CCPCCC(OC)OC.
What is the InChIKey of 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine?
The InChIKey is YFITVKKGWLFLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO5P2/c1-6-25-19(9-12-20,10-15-26-13-7-17(21-2)22-3)11-16-27-14-8-18(23-4)24-5/h17-18,26-27H,6-16,20H2,1-5H3.
What are the key properties of 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine?
5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine has a molecular weight of 427.50 g/mol, XLogP of 3.27, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-ethoxypentan-1-amine is sourced from PubChem (CID 87358088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).