5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine

C24H36N2OSi — CID 158028191

IUPAC5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine
SMILESCC(C)(C)[Si](C)(C)O[C@H](c1ccccc1)[C@H]1CCC(Cc2ccc(N)nc2)C1
InChIInChI=1S/C24H36N2OSi/c1-24(2,3)28(4,5)27-23(20-9-7-6-8-10-20)21-13-11-18(16-21)15-19-12-14-22(25)26-17-19/h6-10,12,14,17-18,21,23H,11,13,15-16H2,1-5H3,(H2,25,26)/t18?,21-,23+/m0/s1
InChIKeyFGVWVCDYMFMLFS-DNPUCPKASA-N
MW396.65 g/mol
LogP6.39
Rot. Bonds6

About 5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine

5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine (PubChem CID 158028191) has the molecular formula C24H36N2OSi and a molecular weight of 396.65 g/mol. Its IUPAC name is 5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine
PubChem CID158028191
Molecular FormulaC24H36N2OSi
Molecular Weight396.65 g/mol
Exact Mass396.26
IUPAC Name5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine
SMILESCC(C)(C)[Si](C)(C)O[C@H](c1ccccc1)[C@H]1CCC(Cc2ccc(N)nc2)C1
InChIInChI=1S/C24H36N2OSi/c1-24(2,3)28(4,5)27-23(20-9-7-6-8-10-20)21-13-11-18(16-21)15-19-12-14-22(25)26-17-19/h6-10,12,14,17-18,21,23H,11,13,15-16H2,1-5H3,(H2,25,26)/t18?,21-,23+/m0/s1
InChIKeyFGVWVCDYMFMLFS-DNPUCPKASA-N
XLogP6.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.65
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[(1R,3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine
CID 158028190
tert-butyl-dimethyl-[(S)-[(1S,3R)-3-[(4-nitrophenyl)methyl]cyclopentyl]-phenylmethoxy]silane
CID 58126646
4-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-(4-fluorophenyl)methyl]cyclopentyl]methyl]benzoic acid
CID 159216210
tert-butyl-dimethyl-[(S)-phenyl-[(2R,3S)-3-phenyloxiran-2-yl]methoxy]silane
CID 11078347
CID 161342763
CID 161342763
tert-butyl-[2-[cyclohexylmethoxy(dimethyl)silyl]-2-methyl-1-phenylpropoxy]-dimethylsilane
CID 18922427
5-(1-amino-2-cyclopropylethyl)pyridin-2-amine
CID 55294489
(3R,4R)-1-benzyl-4-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-hydroxyazetidin-2-one
CID 10992980
[(4R,5S)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 23245446
(2R,5S)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-5-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-1-carboxylic acid
CID 67972110
ethyl 2-[(1R,2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]-3-oxocyclohexyl]acetate
CID 101131254
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-1-amine
CID 14872266

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine?
The IUPAC name of 5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine (CID 158028191) is 5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine is CC(C)(C)[Si](C)(C)O[C@H](c1ccccc1)[C@H]1CCC(Cc2ccc(N)nc2)C1.
What is the InChIKey of 5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine?
The InChIKey is FGVWVCDYMFMLFS-DNPUCPKASA-N. The full InChI is InChI=1S/C24H36N2OSi/c1-24(2,3)28(4,5)27-23(20-9-7-6-8-10-20)21-13-11-18(16-21)15-19-12-14-22(25)26-17-19/h6-10,12,14,17-18,21,23H,11,13,15-16H2,1-5H3,(H2,25,26)/t18?,21-,23+/m0/s1.
What are the key properties of 5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine?
5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine has a molecular weight of 396.65 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine is sourced from PubChem (CID 158028191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).