[5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine

C21H40N2OSi — CID 156732410

IUPAC[5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCc1ccc(CN)nc1
InChIInChI=1S/C21H40N2OSi/c1-21(2,3)25(4,5)24-16-12-10-8-6-7-9-11-13-19-14-15-20(17-22)23-18-19/h14-15,18H,6-13,16-17,22H2,1-5H3
InChIKeyDDERIOYKODFAMD-UHFFFAOYSA-N
MW364.65 g/mol
LogP5.84
Rot. Bonds12

About [5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine

[5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine (PubChem CID 156732410) has the molecular formula C21H40N2OSi and a molecular weight of 364.65 g/mol. Its IUPAC name is [5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine
PubChem CID156732410
Molecular FormulaC21H40N2OSi
Molecular Weight364.65 g/mol
Exact Mass364.29
IUPAC Name[5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCc1ccc(CN)nc1
InChIInChI=1S/C21H40N2OSi/c1-21(2,3)25(4,5)24-16-12-10-8-6-7-9-11-13-19-14-15-20(17-22)23-18-19/h14-15,18H,6-13,16-17,22H2,1-5H3
InChIKeyDDERIOYKODFAMD-UHFFFAOYSA-N
XLogP5.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.65
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane
CID 175965094
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate
CID 91756282
3-[3-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]phenyl]propan-1-amine
CID 67316685
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyridine-2-carbaldehyde
CID 142526581
tert-butyl-[4-[5-[4-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]phenyl]-2-pyridinyl]phenoxy]-dimethylsilane
CID 139657241
tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane
CID 59678692
2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]ethyl 4-methylbenzenesulfonate
CID 87451557
tert-butyl-dimethyl-(8-thiophen-2-yloctoxy)silane
CID 140913096

Frequently Asked Questions

What is the IUPAC name of [5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine?
The IUPAC name of [5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine (CID 156732410) is [5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine?
The canonical SMILES for [5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine is CC(C)(C)[Si](C)(C)OCCCCCCCCCc1ccc(CN)nc1.
What is the InChIKey of [5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine?
The InChIKey is DDERIOYKODFAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2OSi/c1-21(2,3)25(4,5)24-16-12-10-8-6-7-9-11-13-19-14-15-20(17-22)23-18-19/h14-15,18H,6-13,16-17,22H2,1-5H3.
What are the key properties of [5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine?
[5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine has a molecular weight of 364.65 g/mol, XLogP of 5.84, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 156732410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).