(2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol

C19H33NOSi — CID 134926878

IUPAC(2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol
SMILESCC(C)(C)[C@@H](C/C=C/[Si](C)(C)C)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C19H33NOSi/c1-19(2,3)18(13-10-14-22(4,5)6)20-17(15-21)16-11-8-7-9-12-16/h7-12,14,17-18,20-21H,13,15H2,1-6H3/b14-10+/t17-,18+/m0/s1
InChIKeyVEOGOHYDTDXROW-VCCRENGCSA-N
MW319.56 g/mol
LogP4.55
Rot. Bonds7

About (2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol

(2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol (PubChem CID 134926878) has the molecular formula C19H33NOSi and a molecular weight of 319.56 g/mol. Its IUPAC name is (2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol
PubChem CID134926878
Molecular FormulaC19H33NOSi
Molecular Weight319.56 g/mol
Exact Mass319.23
IUPAC Name(2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol
SMILESCC(C)(C)[C@@H](C/C=C/[Si](C)(C)C)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C19H33NOSi/c1-19(2,3)18(13-10-14-22(4,5)6)20-17(15-21)16-11-8-7-9-12-16/h7-12,14,17-18,20-21H,13,15H2,1-6H3/b14-10+/t17-,18+/m0/s1
InChIKeyVEOGOHYDTDXROW-VCCRENGCSA-N
XLogP4.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.56
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol with MolForge

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Related Compounds

(2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol
CID 11172674
(E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine
CID 23642490
tert-butyl (3S)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-4,4-dimethylpentanoate
CID 11267208
2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile
CID 76810844
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
(2S)-2-phenyl-2-[[(3R,4R)-4-trimethylsilylhex-5-en-3-yl]amino]ethanol
CID 102006794
2-[(3-methoxy-3-methylbutan-2-yl)amino]-2-phenylethanol
CID 114228231
(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol
CID 10946349
(2S)-2-(1,1-diphenylpropan-2-ylamino)-3,3-dimethylbutan-1-ol
CID 56859290
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol (CID 134926878) is (2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol is CC(C)(C)[C@@H](C/C=C/[Si](C)(C)C)N[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol?
The InChIKey is VEOGOHYDTDXROW-VCCRENGCSA-N. The full InChI is InChI=1S/C19H33NOSi/c1-19(2,3)18(13-10-14-22(4,5)6)20-17(15-21)16-11-8-7-9-12-16/h7-12,14,17-18,20-21H,13,15H2,1-6H3/b14-10+/t17-,18+/m0/s1.
What are the key properties of (2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol?
(2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol has a molecular weight of 319.56 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(E,3R)-2,2-dimethyl-6-trimethylsilylhex-5-en-3-yl]amino]-2-phenylethanol is sourced from PubChem (CID 134926878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).