(2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine

C6H14NO2PSe — CID 13204279

IUPAC(2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine
SMILESC[C@H]1CCO[P@](=[Se])(N(C)C)O1
InChIInChI=1S/C6H14NO2PSe/c1-6-4-5-8-10(11,9-6)7(2)3/h6H,4-5H2,1-3H3/t6-,10+/m0/s1
InChIKeyPPPAXXGZYVDXCK-QUBYGPBYSA-N
MW242.12 g/mol
LogP1.22
Rot. Bonds1

About (2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine

(2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine (PubChem CID 13204279) has the molecular formula C6H14NO2PSe and a molecular weight of 242.12 g/mol. Its IUPAC name is (2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine.

Molecular Properties

Compound Name(2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine
PubChem CID13204279
Molecular FormulaC6H14NO2PSe
Molecular Weight242.12 g/mol
Exact Mass242.99
IUPAC Name(2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine
SMILESC[C@H]1CCO[P@](=[Se])(N(C)C)O1
InChIInChI=1S/C6H14NO2PSe/c1-6-4-5-8-10(11,9-6)7(2)3/h6H,4-5H2,1-3H3/t6-,10+/m0/s1
InChIKeyPPPAXXGZYVDXCK-QUBYGPBYSA-N
XLogP1.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine?
The IUPAC name of (2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine (CID 13204279) is (2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine.
What is the SMILES notation for (2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine?
The canonical SMILES for (2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine is C[C@H]1CCO[P@](=[Se])(N(C)C)O1.
What is the InChIKey of (2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine?
The InChIKey is PPPAXXGZYVDXCK-QUBYGPBYSA-N. The full InChI is InChI=1S/C6H14NO2PSe/c1-6-4-5-8-10(11,9-6)7(2)3/h6H,4-5H2,1-3H3/t6-,10+/m0/s1.
What are the key properties of (2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine?
(2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine has a molecular weight of 242.12 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N,N,4-trimethyl-2-selanylidene-1,3,2lambda5-dioxaphosphinan-2-amine is sourced from PubChem (CID 13204279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).