N-dibutylphosphoryl-N-ethylethanamine

C12H28NOP — CID 2172704

IUPACN-dibutylphosphoryl-N-ethylethanamine
SMILESCCCCP(=O)(CCCC)N(CC)CC
InChIInChI=1S/C12H28NOP/c1-5-9-11-15(14,12-10-6-2)13(7-3)8-4/h5-12H2,1-4H3
InChIKeyCZKIEEUIXVRJPO-UHFFFAOYSA-N
MW233.34 g/mol
LogP4.21
Rot. Bonds9

About N-dibutylphosphoryl-N-ethylethanamine

N-dibutylphosphoryl-N-ethylethanamine (PubChem CID 2172704) has the molecular formula C12H28NOP and a molecular weight of 233.34 g/mol. Its IUPAC name is N-dibutylphosphoryl-N-ethylethanamine.

Molecular Properties

Compound NameN-dibutylphosphoryl-N-ethylethanamine
PubChem CID2172704
Molecular FormulaC12H28NOP
Molecular Weight233.34 g/mol
Exact Mass233.19
IUPAC NameN-dibutylphosphoryl-N-ethylethanamine
SMILESCCCCP(=O)(CCCC)N(CC)CC
InChIInChI=1S/C12H28NOP/c1-5-9-11-15(14,12-10-6-2)13(7-3)8-4/h5-12H2,1-4H3
InChIKeyCZKIEEUIXVRJPO-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-dibutylphosphoryl-N-ethylethanamine?
The IUPAC name of N-dibutylphosphoryl-N-ethylethanamine (CID 2172704) is N-dibutylphosphoryl-N-ethylethanamine.
What is the SMILES notation for N-dibutylphosphoryl-N-ethylethanamine?
The canonical SMILES for N-dibutylphosphoryl-N-ethylethanamine is CCCCP(=O)(CCCC)N(CC)CC.
What is the InChIKey of N-dibutylphosphoryl-N-ethylethanamine?
The InChIKey is CZKIEEUIXVRJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NOP/c1-5-9-11-15(14,12-10-6-2)13(7-3)8-4/h5-12H2,1-4H3.
What are the key properties of N-dibutylphosphoryl-N-ethylethanamine?
N-dibutylphosphoryl-N-ethylethanamine has a molecular weight of 233.34 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibutylphosphoryl-N-ethylethanamine is sourced from PubChem (CID 2172704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).