(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine

C22H39NOSi — CID 102089529

IUPAC(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine
SMILESC=C[C@@H](C[C@H](CCCCc1ccccc1)O[Si](C)(C)C(C)(C)C)NC
InChIInChI=1S/C22H39NOSi/c1-8-20(23-5)18-21(24-25(6,7)22(2,3)4)17-13-12-16-19-14-10-9-11-15-19/h8-11,14-15,20-21,23H,1,12-13,16-18H2,2-7H3/t20-,21-/m0/s1
InChIKeyURIKPFSZWCAPIS-SFTDATJTSA-N
MW361.65 g/mol
LogP5.95
Rot. Bonds11

About (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine

(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine (PubChem CID 102089529) has the molecular formula C22H39NOSi and a molecular weight of 361.65 g/mol. Its IUPAC name is (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine.

Molecular Properties

Compound Name(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine
PubChem CID102089529
Molecular FormulaC22H39NOSi
Molecular Weight361.65 g/mol
Exact Mass361.28
IUPAC Name(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine
SMILESC=C[C@@H](C[C@H](CCCCc1ccccc1)O[Si](C)(C)C(C)(C)C)NC
InChIInChI=1S/C22H39NOSi/c1-8-20(23-5)18-21(24-25(6,7)22(2,3)4)17-13-12-16-19-14-10-9-11-15-19/h8-11,14-15,20-21,23H,1,12-13,16-18H2,2-7H3/t20-,21-/m0/s1
InChIKeyURIKPFSZWCAPIS-SFTDATJTSA-N
XLogP5.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.65
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-N-methyl-1-phenylpropan-2-amine
CID 14572256
(1S,2R)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine
CID 122223185
(1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine
CID 11666148
3-[Tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine
CID 11694624
(1S,2S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-N-methyl-1-phenylpropan-2-amine
CID 165362224
(2R,5R)-5-benzyl-6-[dimethyl(2-methylpentan-2-yl)silyl]oxy-3-fluoro-1-phenylhex-3-en-2-amine
CID 56975180
(2R,4R)-4-(tert-butyldimethylsilyloxy)-2-(3-fluorophenyl)pyrrolidine
CID 66684536
tert-butyl-[(3R)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 66685016
tert-butyl-[(3R,5S)-5-(3-fluorophenyl)pyrrolidin-3-yl]oxy-dimethylsilane
CID 66689839
(3S)-2-(3-fluorophenyl)-3-(triisopropylsilyloxy)pyrrolidine
CID 67308441
(S)-3-(tert-butyldimethylsilanyloxy)-1-(2-fluorophenyl)propylamine
CID 68292582
(Z,2R,5R)-5-benzyl-6-[dimethyl(2-methylpentan-2-yl)silyl]oxy-3-fluoro-1-phenylhex-3-en-2-amine
CID 70365588

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine?
The IUPAC name of (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine (CID 102089529) is (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine.
What is the SMILES notation for (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine?
The canonical SMILES for (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine is C=C[C@@H](C[C@H](CCCCc1ccccc1)O[Si](C)(C)C(C)(C)C)NC.
What is the InChIKey of (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine?
The InChIKey is URIKPFSZWCAPIS-SFTDATJTSA-N. The full InChI is InChI=1S/C22H39NOSi/c1-8-20(23-5)18-21(24-25(6,7)22(2,3)4)17-13-12-16-19-14-10-9-11-15-19/h8-11,14-15,20-21,23H,1,12-13,16-18H2,2-7H3/t20-,21-/m0/s1.
What are the key properties of (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine?
(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine has a molecular weight of 361.65 g/mol, XLogP of 5.95, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methyl-9-phenylnon-1-en-3-amine is sourced from PubChem (CID 102089529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).