[[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate

C15H33N2O4P — CID 170258789

IUPAC[[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate
SMILESCC/N=C/OP(OCCOCCOCC)N(C(C)C)C(C)C
InChIInChI=1S/C15H33N2O4P/c1-7-16-13-21-22(17(14(3)4)15(5)6)20-12-11-19-10-9-18-8-2/h13-15H,7-12H2,1-6H3/b16-13+
InChIKeySFAFAWVIRNJGNG-DTQAZKPQSA-N
MW336.41 g/mol
LogP3.47
Rot. Bonds14

About [[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate

[[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate (PubChem CID 170258789) has the molecular formula C15H33N2O4P and a molecular weight of 336.41 g/mol. Its IUPAC name is [[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate.

Molecular Properties

Compound Name[[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate
PubChem CID170258789
Molecular FormulaC15H33N2O4P
Molecular Weight336.41 g/mol
Exact Mass336.22
IUPAC Name[[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate
SMILESCC/N=C/OP(OCCOCCOCC)N(C(C)C)C(C)C
InChIInChI=1S/C15H33N2O4P/c1-7-16-13-21-22(17(14(3)4)15(5)6)20-12-11-19-10-9-18-8-2/h13-15H,7-12H2,1-6H3/b16-13+
InChIKeySFAFAWVIRNJGNG-DTQAZKPQSA-N
XLogP3.47
TPSA52.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate?
The IUPAC name of [[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate (CID 170258789) is [[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate.
What is the SMILES notation for [[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate?
The canonical SMILES for [[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate is CC/N=C/OP(OCCOCCOCC)N(C(C)C)C(C)C.
What is the InChIKey of [[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate?
The InChIKey is SFAFAWVIRNJGNG-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H33N2O4P/c1-7-16-13-21-22(17(14(3)4)15(5)6)20-12-11-19-10-9-18-8-2/h13-15H,7-12H2,1-6H3/b16-13+.
What are the key properties of [[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate?
[[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate has a molecular weight of 336.41 g/mol, XLogP of 3.47, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[di(propan-2-yl)amino]-[2-(2-ethoxyethoxy)ethoxy]phosphanyl] N-ethylmethanimidate is sourced from PubChem (CID 170258789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).