(2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine

C10H22NO2PSe — CID 23416270

IUPAC(2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine
SMILESC[C@H]1CC(C)(C)O[P@](=[Se])(NC(C)(C)C)O1
InChIInChI=1S/C10H22NO2PSe/c1-8-7-10(5,6)13-14(15,12-8)11-9(2,3)4/h8H,7H2,1-6H3,(H,11,15)/t8-,14-/m0/s1
InChIKeyNEEYANFTPQPHQC-RTHLEPHNSA-N
MW298.23 g/mol
LogP2.82
Rot. Bonds1

About (2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine

(2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine (PubChem CID 23416270) has the molecular formula C10H22NO2PSe and a molecular weight of 298.23 g/mol. Its IUPAC name is (2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine.

Molecular Properties

Compound Name(2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine
PubChem CID23416270
Molecular FormulaC10H22NO2PSe
Molecular Weight298.23 g/mol
Exact Mass299.06
IUPAC Name(2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine
SMILESC[C@H]1CC(C)(C)O[P@](=[Se])(NC(C)(C)C)O1
InChIInChI=1S/C10H22NO2PSe/c1-8-7-10(5,6)13-14(15,12-8)11-9(2,3)4/h8H,7H2,1-6H3,(H,11,15)/t8-,14-/m0/s1
InChIKeyNEEYANFTPQPHQC-RTHLEPHNSA-N
XLogP2.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
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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Related Compounds

2-chloro-4,4,6-trimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23261982
N,N,2-trimethyl-2-[(2S,6R)-4,4,6-trimethyl-1,3-dioxan-2-yl]propan-1-amine
CID 738468
4,4,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]-1,3,2-dioxastibinane
CID 86101784
N-[(2-cyclopentyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine
CID 62714405
2,4,4,8,10,10-hexamethyl-1,5,7,11-tetraoxa-6-silaspiro[5.5]undecane
CID 13268664
N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine
CID 67593437
N-[(2-ethyl-2-methylcyclopropyl)methyl]-2-methylpropan-2-amine
CID 62712630
2,2,5,5-tetramethyl-N-(2,2,3-trimethylbutyl)oxolan-3-amine
CID 102613662
(4R,6S)-4-chloro-2,2,6-trimethyloxane
CID 131845462
2,4,4,6-tetramethyl-1,3,2-dioxaborinane
CID 537474
4,4,6-trimethyl-1,3,2-dioxaphosphinan-2-ium 2-oxide
CID 6329151
CID 153346333
CID 153346333

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine?
The IUPAC name of (2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine (CID 23416270) is (2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine.
What is the SMILES notation for (2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine?
The canonical SMILES for (2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine is C[C@H]1CC(C)(C)O[P@](=[Se])(NC(C)(C)C)O1.
What is the InChIKey of (2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine?
The InChIKey is NEEYANFTPQPHQC-RTHLEPHNSA-N. The full InChI is InChI=1S/C10H22NO2PSe/c1-8-7-10(5,6)13-14(15,12-8)11-9(2,3)4/h8H,7H2,1-6H3,(H,11,15)/t8-,14-/m0/s1.
What are the key properties of (2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine?
(2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine has a molecular weight of 298.23 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-tert-butyl-4,4,6-trimethyl-2-selanylidene-1,3,2λ5-dioxaphosphinan-2-amine is sourced from PubChem (CID 23416270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).