2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine

C19H51N5SSi3 — CID 146865615

IUPAC2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine
SMILESC[Si](C)(C)N(CCN1CNCN(CCN([Si](C)(C)C)S(C)(C)C)C1)[Si](C)(C)C
InChIInChI=1S/C19H51N5SSi3/c1-25(2,3)23(26(4,5)6)15-13-21-17-20-18-22(19-21)14-16-24(27(7,8)9)28(10,11)12/h20H,13-19H2,1-12H3
InChIKeySLUQOVCSFWJJRY-UHFFFAOYSA-N
MW465.98 g/mol
LogP3.78
Rot. Bonds10

About 2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine

2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine (PubChem CID 146865615) has the molecular formula C19H51N5SSi3 and a molecular weight of 465.98 g/mol. Its IUPAC name is 2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine.

Molecular Properties

Compound Name2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine
PubChem CID146865615
Molecular FormulaC19H51N5SSi3
Molecular Weight465.98 g/mol
Exact Mass465.32
IUPAC Name2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine
SMILESC[Si](C)(C)N(CCN1CNCN(CCN([Si](C)(C)C)S(C)(C)C)C1)[Si](C)(C)C
InChIInChI=1S/C19H51N5SSi3/c1-25(2,3)23(26(4,5)6)15-13-21-17-20-18-22(19-21)14-16-24(27(7,8)9)28(10,11)12/h20H,13-19H2,1-12H3
InChIKeySLUQOVCSFWJJRY-UHFFFAOYSA-N
XLogP3.78
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1,3,5-triazinan-1-amine
CID 144981078
1-methyl-1,3-diazetidine
CID 20702282
N-[3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]propyl]-N-methylthiohydroxylamine
CID 138569345
3-methyl-7-(1,3,5,7-tetrazabicyclo[3.3.1]nonan-3-ylmethyl)-1,3,5,7-tetrazabicyclo[3.3.1]nonane
CID 102333919
3-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]-N,N-dimethylpropan-1-amine;1,3,5-triazine
CID 170990931
1-[3,5-bis[(dimethylamino)methyl]-1,3,5-triazinan-1-yl]-N,N-dimethylmethanamine
CID 57249397
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
CID 63695224
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63267409
N-methyl-N,N',N'-tris(trimethylsilyl)octane-1,8-diamine
CID 139747027
2-[3,5-bis[3-(dimethylamino)propyl]-1,3,5-triazinan-1-yl]ethanol
CID 57224817
zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine?
The IUPAC name of 2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine (CID 146865615) is 2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine.
What is the SMILES notation for 2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine?
The canonical SMILES for 2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine is C[Si](C)(C)N(CCN1CNCN(CCN([Si](C)(C)C)S(C)(C)C)C1)[Si](C)(C)C.
What is the InChIKey of 2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine?
The InChIKey is SLUQOVCSFWJJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H51N5SSi3/c1-25(2,3)23(26(4,5)6)15-13-21-17-20-18-22(19-21)14-16-24(27(7,8)9)28(10,11)12/h20H,13-19H2,1-12H3.
What are the key properties of 2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine?
2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine has a molecular weight of 465.98 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(trimethyl-λ4-sulfanyl)-trimethylsilylamino]ethyl]-1,3,5-triazinan-1-yl]-N,N-bis(trimethylsilyl)ethanamine is sourced from PubChem (CID 146865615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).