2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine

C16H34NOP — CID 10803227

IUPAC2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine
SMILESCCCCCCCCNP1(=O)C(C)(C)C(C)C1(C)C
InChIInChI=1S/C16H34NOP/c1-7-8-9-10-11-12-13-17-19(18)15(3,4)14(2)16(19,5)6/h14H,7-13H2,1-6H3,(H,17,18)
InChIKeyRETZKFPRSXPFFF-UHFFFAOYSA-N
MW287.43 g/mol
LogP5.42
Rot. Bonds8

About 2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine

2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine (PubChem CID 10803227) has the molecular formula C16H34NOP and a molecular weight of 287.43 g/mol. Its IUPAC name is 2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine.

Molecular Properties

Compound Name2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine
PubChem CID10803227
Molecular FormulaC16H34NOP
Molecular Weight287.43 g/mol
Exact Mass287.24
IUPAC Name2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine
SMILESCCCCCCCCNP1(=O)C(C)(C)C(C)C1(C)C
InChIInChI=1S/C16H34NOP/c1-7-8-9-10-11-12-13-17-19(18)15(3,4)14(2)16(19,5)6/h14H,7-13H2,1-6H3,(H,17,18)
InChIKeyRETZKFPRSXPFFF-UHFFFAOYSA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.43
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine?
The IUPAC name of 2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine (CID 10803227) is 2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine.
What is the SMILES notation for 2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine?
The canonical SMILES for 2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine is CCCCCCCCNP1(=O)C(C)(C)C(C)C1(C)C.
What is the InChIKey of 2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine?
The InChIKey is RETZKFPRSXPFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34NOP/c1-7-8-9-10-11-12-13-17-19(18)15(3,4)14(2)16(19,5)6/h14H,7-13H2,1-6H3,(H,17,18).
What are the key properties of 2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine?
2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4-pentamethyl-N-octyl-1-oxo-1λ5-phosphetan-1-amine is sourced from PubChem (CID 10803227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).