2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine

C16H37N3O3Si3 — CID 123266948

IUPAC2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine
SMILESC=C(C=C(C=C(C)NO[Si](C)(C)C)NO[Si](C)(C)C)NO[Si](C)(C)C
InChIInChI=1S/C16H37N3O3Si3/c1-14(17-20-23(3,4)5)12-16(19-22-25(9,10)11)13-15(2)18-21-24(6,7)8/h12-13,17-19H,1H2,2-11H3
InChIKeyYETPQNMHMQLFGE-UHFFFAOYSA-N
MW403.75 g/mol
LogP4.36
Rot. Bonds11

About 2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine

2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine (PubChem CID 123266948) has the molecular formula C16H37N3O3Si3 and a molecular weight of 403.75 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine
PubChem CID123266948
Molecular FormulaC16H37N3O3Si3
Molecular Weight403.75 g/mol
Exact Mass403.21
IUPAC Name2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine
SMILESC=C(C=C(C=C(C)NO[Si](C)(C)C)NO[Si](C)(C)C)NO[Si](C)(C)C
InChIInChI=1S/C16H37N3O3Si3/c1-14(17-20-23(3,4)5)12-16(19-22-25(9,10)11)13-15(2)18-21-24(6,7)8/h12-13,17-19H,1H2,2-11H3
InChIKeyYETPQNMHMQLFGE-UHFFFAOYSA-N
XLogP4.36
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.75
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[dimethoxy(methyl)silyl]oxybut-2-en-2-amine
CID 54379205
N-trimethylsilyloxyethenamine
CID 91566986
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
2-methylidene-5-silyl-N-trimethylsilyloxypentanamide
CID 175035898
methylhydrazine;2-methylprop-1-ene
CID 142046477
N-[methoxy(dimethyl)silyl]oxypent-2-en-2-amine
CID 123574394
2-[(Z)-3-(methylamino)but-2-enoyl]oxyethyl (Z)-3-(methylamino)but-2-enoate
CID 88715012
[(3Z,7E)-7-fluoro-5,6-dimethylidene-9-(2-methylprop-2-enoyloxy)deca-1,3,7,9-tetraen-2-yl] 2-methylprop-2-enoate
CID 144647898
methanamine;2-(2-methylprop-2-enoyloxy)ethyl (Z)-3-(methylamino)but-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate
CID 158387580
1-chloroethenoxy(trimethyl)silane
CID 175502754
prop-2-enyl (Z)-4-(methylamino)-2-methylidenepent-3-enoate
CID 134502038
(3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane
CID 143646233

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine (CID 123266948) is 2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine is C=C(C=C(C=C(C)NO[Si](C)(C)C)NO[Si](C)(C)C)NO[Si](C)(C)C.
What is the InChIKey of 2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine?
The InChIKey is YETPQNMHMQLFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3O3Si3/c1-14(17-20-23(3,4)5)12-16(19-22-25(9,10)11)13-15(2)18-21-24(6,7)8/h12-13,17-19H,1H2,2-11H3.
What are the key properties of 2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine?
2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine has a molecular weight of 403.75 g/mol, XLogP of 4.36, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris(trimethylsilyloxy)hepta-1,3,5-triene-2,4,6-triamine is sourced from PubChem (CID 123266948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).