5-[[(1R,3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine

C24H36N2OSi — CID 158028190

IUPAC5-[[(1R,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]1CC[C@@H](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-AVCGJXAMSA-N
MW396.65 g/mol
LogP6.39
Rot. Bonds6

About 5-[[(1R,3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine

5-[[(1R,3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine (PubChem CID 158028190) has the molecular formula C24H36N2OSi and a molecular weight of 396.65 g/mol. Its IUPAC name is 5-[[(1R,3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[[(1R,3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine
PubChem CID158028190
Molecular FormulaC24H36N2OSi
Molecular Weight396.65 g/mol
Exact Mass396.26
IUPAC Name5-[[(1R,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]1CC[C@@H](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-AVCGJXAMSA-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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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine?
The IUPAC name of 5-[[(1R,3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine (CID 158028190) is 5-[[(1R,3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-[[(1R,3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-[[(1R,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]1CC[C@@H](Cc2ccc(N)nc2)C1.
What is the InChIKey of 5-[[(1R,3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine?
The InChIKey is FGVWVCDYMFMLFS-AVCGJXAMSA-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-[[(1R,3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine?
5-[[(1R,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-[[(1R,3S)-3-[(S)-[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]cyclopentyl]methyl]pyridin-2-amine is sourced from PubChem (CID 158028190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).