N-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

C30H43N3OSi — CID 90894487

IUPACN-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCC(C)(C)c1cc(CN(Cc2ccccn2)Cc2ccccn2)c(O[Si](C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C30H43N3OSi/c1-29(2,3)24-18-23(28(34-35(7,8)9)27(19-24)30(4,5)6)20-33(21-25-14-10-12-16-31-25)22-26-15-11-13-17-32-26/h10-19H,20-22H2,1-9H3
InChIKeyLYGQWVJHCCXIST-UHFFFAOYSA-N
MW489.78 g/mol
LogP7.49
Rot. Bonds8

About N-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

N-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 90894487) has the molecular formula C30H43N3OSi and a molecular weight of 489.78 g/mol. Its IUPAC name is N-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID90894487
Molecular FormulaC30H43N3OSi
Molecular Weight489.78 g/mol
Exact Mass489.32
IUPAC NameN-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESCC(C)(C)c1cc(CN(Cc2ccccn2)Cc2ccccn2)c(O[Si](C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C30H43N3OSi/c1-29(2,3)24-18-23(28(34-35(7,8)9)27(19-24)30(4,5)6)20-33(21-25-14-10-12-16-31-25)22-26-15-11-13-17-32-26/h10-19H,20-22H2,1-9H3
InChIKeyLYGQWVJHCCXIST-UHFFFAOYSA-N
XLogP7.49
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.78
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-Bis(tert-butyl)-4-(morpholin-4-yl-2-pyridylmethyl)phenol
CID 4016538
3-(3,5-Dimethyl-4-hydroxybenzylidene)anabaseine
CID 135869163
2,6-Ditert-butyl-4-[(3-methyl-2-pyridinyl)-morpholin-4-ylmethyl]phenol
CID 155562949
2,6-Ditert-butyl-4-[(4-butylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol
CID 155520995
2,6-Ditert-butyl-4-[(4-propan-2-ylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol
CID 155522425
2,6-Ditert-butyl-4-[(4-tert-butylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol
CID 155524347
2,6-Ditert-butyl-4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol
CID 155556957
2,6-Ditert-butyl-4-[(4-methylpiperazin-1-yl)-pyridin-2-ylmethyl]phenol
CID 155563652
Beryllium;2-pyridin-2-ylphenolate
CID 100943966
2,6-Bis(tert-butyl)-4-(2-pyridylpyrrolidinylmethyl)phenol
CID 4085261
5-(4-Methoxyphenyl)-2,2'-bipyridine
CID 12186597
2,6-ditert-butyl-4-[(E)-2-pyridin-2-ylethenyl]phenol
CID 135760626

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (CID 90894487) is N-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is CC(C)(C)c1cc(CN(Cc2ccccn2)Cc2ccccn2)c(O[Si](C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of N-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is LYGQWVJHCCXIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3OSi/c1-29(2,3)24-18-23(28(34-35(7,8)9)27(19-24)30(4,5)6)20-33(21-25-14-10-12-16-31-25)22-26-15-11-13-17-32-26/h10-19H,20-22H2,1-9H3.
What are the key properties of N-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
N-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 489.78 g/mol, XLogP of 7.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-ditert-butyl-2-trimethylsilyloxyphenyl)methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 90894487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).