3-ethyl-2,2,3,4,4-pentamethyl-1-oxo-1λ5-phosphetan-1-amine

C10H22NOP — CID 57375367

IUPAC3-ethyl-2,2,3,4,4-pentamethyl-1-oxo-1λ5-phosphetan-1-amine
SMILESCCC1(C)C(C)(C)P(N)(=O)C1(C)C
InChIInChI=1S/C10H22NOP/c1-7-10(6)8(2,3)13(11,12)9(10,4)5/h7H2,1-6H3,(H2,11,12)
InChIKeyJCSHHXARHGJSJI-UHFFFAOYSA-N
MW203.27 g/mol
LogP3.21
Rot. Bonds1

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

3-ethyl-2,2,3,4,4-pentamethyl-1-oxo-1λ5-phosphetan-1-amine (PubChem CID 57375367) has the molecular formula C10H22NOP and a molecular weight of 203.27 g/mol. Its IUPAC name is 3-ethyl-2,2,3,4,4-pentamethyl-1-oxo-1λ5-phosphetan-1-amine.

Molecular Properties

Compound Name3-ethyl-2,2,3,4,4-pentamethyl-1-oxo-1λ5-phosphetan-1-amine
PubChem CID57375367
Molecular FormulaC10H22NOP
Molecular Weight203.27 g/mol
Exact Mass203.14
IUPAC Name3-ethyl-2,2,3,4,4-pentamethyl-1-oxo-1λ5-phosphetan-1-amine
SMILESCCC1(C)C(C)(C)P(N)(=O)C1(C)C
InChIInChI=1S/C10H22NOP/c1-7-10(6)8(2,3)13(11,12)9(10,4)5/h7H2,1-6H3,(H2,11,12)
InChIKeyJCSHHXARHGJSJI-UHFFFAOYSA-N
XLogP3.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
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 3-ethyl-2,2,3,4,4-pentamethyl-1-oxo-1λ5-phosphetan-1-amine?
The IUPAC name of 3-ethyl-2,2,3,4,4-pentamethyl-1-oxo-1λ5-phosphetan-1-amine (CID 57375367) is 3-ethyl-2,2,3,4,4-pentamethyl-1-oxo-1λ5-phosphetan-1-amine.
What is the SMILES notation for 3-ethyl-2,2,3,4,4-pentamethyl-1-oxo-1λ5-phosphetan-1-amine?
The canonical SMILES for 3-ethyl-2,2,3,4,4-pentamethyl-1-oxo-1λ5-phosphetan-1-amine is CCC1(C)C(C)(C)P(N)(=O)C1(C)C.
What is the InChIKey of 3-ethyl-2,2,3,4,4-pentamethyl-1-oxo-1λ5-phosphetan-1-amine?
The InChIKey is JCSHHXARHGJSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NOP/c1-7-10(6)8(2,3)13(11,12)9(10,4)5/h7H2,1-6H3,(H2,11,12).
What are the key properties of 3-ethyl-2,2,3,4,4-pentamethyl-1-oxo-1λ5-phosphetan-1-amine?
3-ethyl-2,2,3,4,4-pentamethyl-1-oxo-1λ5-phosphetan-1-amine has a molecular weight of 203.27 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2,3,4,4-pentamethyl-1-oxo-1λ5-phosphetan-1-amine is sourced from PubChem (CID 57375367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).