(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine

C19H35NOSi — CID 25179193

IUPAC(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine
SMILESCN[C@@H](C)C[C@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H35NOSi/c1-16(20-5)15-18(21-22(6,7)19(2,3)4)14-13-17-11-9-8-10-12-17/h8-12,16,18,20H,13-15H2,1-7H3/t16-,18-/m0/s1
InChIKeyKUVSSNTVGJCHPB-WMZOPIPTSA-N
MW321.58 g/mol
LogP5.01
Rot. Bonds8

About (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine

(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine (PubChem CID 25179193) has the molecular formula C19H35NOSi and a molecular weight of 321.58 g/mol. Its IUPAC name is (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine.

Molecular Properties

Compound Name(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine
PubChem CID25179193
Molecular FormulaC19H35NOSi
Molecular Weight321.58 g/mol
Exact Mass321.25
IUPAC Name(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine
SMILESCN[C@@H](C)C[C@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H35NOSi/c1-16(20-5)15-18(21-22(6,7)19(2,3)4)14-13-17-11-9-8-10-12-17/h8-12,16,18,20H,13-15H2,1-7H3/t16-,18-/m0/s1
InChIKeyKUVSSNTVGJCHPB-WMZOPIPTSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.58
LogP ≤ 55.01
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

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
tert-butyl-dimethyl-(1-phenylhex-5-yn-3-yloxy)silane
CID 139249096
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentan-2-ol
CID 67144308
tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane
CID 101441536
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
CID 53259150
tert-butyl-dimethyl-[(Z)-1-phenyloct-5-en-3-yl]oxysilane;carbon dioxide
CID 158278224
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
(2S)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanoyl]amino]-3-methylbutanoic acid
CID 70085517
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine
CID 14872266
tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane
CID 101349147
(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine
CID 122223185

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine?
The IUPAC name of (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine (CID 25179193) is (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine.
What is the SMILES notation for (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine?
The canonical SMILES for (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine is CN[C@@H](C)C[C@H](CCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine?
The InChIKey is KUVSSNTVGJCHPB-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H35NOSi/c1-16(20-5)15-18(21-22(6,7)19(2,3)4)14-13-17-11-9-8-10-12-17/h8-12,16,18,20H,13-15H2,1-7H3/t16-,18-/m0/s1.
What are the key properties of (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine?
(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine has a molecular weight of 321.58 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-N-methyl-6-phenylhexan-2-amine is sourced from PubChem (CID 25179193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).