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

C17H39NO4P2 — CID 57063234

IUPAC5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine
SMILESCOC(CCPCCC(CCN)CCPCCC(OC)OC)OC
InChIInChI=1S/C17H39NO4P2/c1-19-16(20-2)8-13-23-11-6-15(5-10-18)7-12-24-14-9-17(21-3)22-4/h15-17,23-24H,5-14,18H2,1-4H3
InChIKeyFYBCNQAIDBGZJK-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.11
Rot. Bonds18

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

5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine (PubChem CID 57063234) has the molecular formula C17H39NO4P2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine
PubChem CID57063234
Molecular FormulaC17H39NO4P2
Molecular Weight383.45 g/mol
Exact Mass383.24
IUPAC Name5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine
SMILESCOC(CCPCCC(CCN)CCPCCC(OC)OC)OC
InChIInChI=1S/C17H39NO4P2/c1-19-16(20-2)8-13-23-11-6-15(5-10-18)7-12-24-14-9-17(21-3)22-4/h15-17,23-24H,5-14,18H2,1-4H3
InChIKeyFYBCNQAIDBGZJK-UHFFFAOYSA-N
XLogP3.11
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine?
The IUPAC name of 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine (CID 57063234) is 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine.
What is the SMILES notation for 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine?
The canonical SMILES for 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine is COC(CCPCCC(CCN)CCPCCC(OC)OC)OC.
What is the InChIKey of 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine?
The InChIKey is FYBCNQAIDBGZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39NO4P2/c1-19-16(20-2)8-13-23-11-6-15(5-10-18)7-12-24-14-9-17(21-3)22-4/h15-17,23-24H,5-14,18H2,1-4H3.
What are the key properties of 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine?
5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine has a molecular weight of 383.45 g/mol, XLogP of 3.11, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine is sourced from PubChem (CID 57063234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).