(4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane

C25H42AlNOSi — CID 173186725

IUPAC(4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane
SMILESCC(C)C[C@H](N)C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C.C[Al](C)C
InChIInChI=1S/C22H33NOSi.3CH3.Al/c1-17(2)16-20(23)21(22(3,4)5)24-25(18-12-8-6-9-13-18)19-14-10-7-11-15-19;;;;/h6-15,17,20-21,25H,16,23H2,1-5H3;3*1H3;/t20-,21?;;;;/m0..../s1
InChIKeyIATCAFHTZSEPHJ-QGYRAXHHSA-N
MW427.69 g/mol
LogP4.70
Rot. Bonds7

About (4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane

(4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane (PubChem CID 173186725) has the molecular formula C25H42AlNOSi and a molecular weight of 427.69 g/mol. Its IUPAC name is (4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane.

Molecular Properties

Compound Name(4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane
PubChem CID173186725
Molecular FormulaC25H42AlNOSi
Molecular Weight427.69 g/mol
Exact Mass427.29
IUPAC Name(4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane
SMILESCC(C)C[C@H](N)C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C.C[Al](C)C
InChIInChI=1S/C22H33NOSi.3CH3.Al/c1-17(2)16-20(23)21(22(3,4)5)24-25(18-12-8-6-9-13-18)19-14-10-7-11-15-19;;;;/h6-15,17,20-21,25H,16,23H2,1-5H3;3*1H3;/t20-,21?;;;;/m0..../s1
InChIKeyIATCAFHTZSEPHJ-QGYRAXHHSA-N
XLogP4.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.69
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-diphenylsilyloxy-7,7-dimethyloct-1-ene-4,5-diol
CID 173316919
2,2-dimethylhexan-3-yloxy(diphenyl)silane
CID 173016744
2-diphenylsilyloxy-3,3-dimethylbutanal
CID 173363396
(1R,2S)-1-methoxy-4-methyl-1-phenylpentan-2-amine
CID 12051472
2-[2-[2-[2-[2-(2-diphenylsilyloxy-3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 173024422
[4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane
CID 173226860
[2,2-dimethyl-1-[(2R)-thiiran-2-yl]propoxy]-diphenylsilane
CID 154162263
(1-cyclobutyl-2,2-dimethylpropoxy)-diphenylsilane
CID 173387668
2,2,5-trimethylhexan-3-ylbenzene
CID 18669937
4-(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclohexane-1,2-diamine
CID 173121594
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
2-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
CID 62762382

Frequently Asked Questions

What is the IUPAC name of (4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane?
The IUPAC name of (4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane (CID 173186725) is (4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane.
What is the SMILES notation for (4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane?
The canonical SMILES for (4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane is CC(C)C[C@H](N)C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C.C[Al](C)C.
What is the InChIKey of (4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane?
The InChIKey is IATCAFHTZSEPHJ-QGYRAXHHSA-N. The full InChI is InChI=1S/C22H33NOSi.3CH3.Al/c1-17(2)16-20(23)21(22(3,4)5)24-25(18-12-8-6-9-13-18)19-14-10-7-11-15-19;;;;/h6-15,17,20-21,25H,16,23H2,1-5H3;3*1H3;/t20-,21?;;;;/m0..../s1.
What are the key properties of (4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane?
(4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane has a molecular weight of 427.69 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-diphenylsilyloxy-2,2,6-trimethylheptan-4-amine;trimethylalumane is sourced from PubChem (CID 173186725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).