N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine

C12H28NO2P — CID 4251849

IUPACN-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H28NO2P/c1-9-13(10-2)16(14-11(3,4)5)15-12(6,7)8/h9-10H2,1-8H3
InChIKeyKUKSUQKELVOKBH-UHFFFAOYSA-N
MW249.33 g/mol
LogP4.19
Rot. Bonds5

About N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine

N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine (PubChem CID 4251849) has the molecular formula C12H28NO2P and a molecular weight of 249.33 g/mol. Its IUPAC name is N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine
PubChem CID4251849
Molecular FormulaC12H28NO2P
Molecular Weight249.33 g/mol
Exact Mass249.19
IUPAC NameN-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine
SMILESCCN(CC)P(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H28NO2P/c1-9-13(10-2)16(14-11(3,4)5)15-12(6,7)8/h9-10H2,1-8H3
InChIKeyKUKSUQKELVOKBH-UHFFFAOYSA-N
XLogP4.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine?
The IUPAC name of N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine (CID 4251849) is N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine.
What is the SMILES notation for N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine?
The canonical SMILES for N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine is CCN(CC)P(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine?
The InChIKey is KUKSUQKELVOKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO2P/c1-9-13(10-2)16(14-11(3,4)5)15-12(6,7)8/h9-10H2,1-8H3.
What are the key properties of N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine?
N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine has a molecular weight of 249.33 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[(2-methylpropan-2-yl)oxy]phosphanyl]-N-ethylethanamine is sourced from PubChem (CID 4251849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).