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

C16H37NO5P2 — CID 87357459

IUPAC4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-ethoxybutan-1-amine
SMILESCCOC(CN)(CCPCC(OC)OC)CCPCC(OC)OC
InChIInChI=1S/C16H37NO5P2/c1-6-22-16(13-17,7-9-23-11-14(18-2)19-3)8-10-24-12-15(20-4)21-5/h14-15,23-24H,6-13,17H2,1-5H3
InChIKeyKCANKEXTMINFEJ-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.10
Rot. Bonds17

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

4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-ethoxybutan-1-amine (PubChem CID 87357459) has the molecular formula C16H37NO5P2 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-ethoxybutan-1-amine.

Molecular Properties

Compound Name4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-ethoxybutan-1-amine
PubChem CID87357459
Molecular FormulaC16H37NO5P2
Molecular Weight385.42 g/mol
Exact Mass385.21
IUPAC Name4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-ethoxybutan-1-amine
SMILESCCOC(CN)(CCPCC(OC)OC)CCPCC(OC)OC
InChIInChI=1S/C16H37NO5P2/c1-6-22-16(13-17,7-9-23-11-14(18-2)19-3)8-10-24-12-15(20-4)21-5/h14-15,23-24H,6-13,17H2,1-5H3
InChIKeyKCANKEXTMINFEJ-UHFFFAOYSA-N
XLogP2.10
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.10
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-ethoxybutan-1-amine?
The IUPAC name of 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-ethoxybutan-1-amine (CID 87357459) is 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-ethoxybutan-1-amine.
What is the SMILES notation for 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-ethoxybutan-1-amine?
The canonical SMILES for 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-ethoxybutan-1-amine is CCOC(CN)(CCPCC(OC)OC)CCPCC(OC)OC.
What is the InChIKey of 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-ethoxybutan-1-amine?
The InChIKey is KCANKEXTMINFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37NO5P2/c1-6-22-16(13-17,7-9-23-11-14(18-2)19-3)8-10-24-12-15(20-4)21-5/h14-15,23-24H,6-13,17H2,1-5H3.
What are the key properties of 4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-ethoxybutan-1-amine?
4-(2,2-dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-ethoxybutan-1-amine has a molecular weight of 385.42 g/mol, XLogP of 2.10, 17 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-ethoxybutan-1-amine is sourced from PubChem (CID 87357459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).