5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline

C19H31N3O3Si — CID 172553993

IUPAC5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline
SMILESCC(C)(C)[Si](C)(C)OCCN1CC=C(c2ccc([N+](=O)[O-])c(N)c2)CC1
InChIInChI=1S/C19H31N3O3Si/c1-19(2,3)26(4,5)25-13-12-21-10-8-15(9-11-21)16-6-7-18(22(23)24)17(20)14-16/h6-8,14H,9-13,20H2,1-5H3
InChIKeyUQHRPKGKWVSGFG-UHFFFAOYSA-N
MW377.56 g/mol
LogP4.29
Rot. Bonds6

About 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline

5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline (PubChem CID 172553993) has the molecular formula C19H31N3O3Si and a molecular weight of 377.56 g/mol. Its IUPAC name is 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline.

Molecular Properties

Compound Name5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline
PubChem CID172553993
Molecular FormulaC19H31N3O3Si
Molecular Weight377.56 g/mol
Exact Mass377.21
IUPAC Name5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline
SMILESCC(C)(C)[Si](C)(C)OCCN1CC=C(c2ccc([N+](=O)[O-])c(N)c2)CC1
InChIInChI=1S/C19H31N3O3Si/c1-19(2,3)26(4,5)25-13-12-21-10-8-15(9-11-21)16-6-7-18(22(23)24)17(20)14-16/h6-8,14H,9-13,20H2,1-5H3
InChIKeyUQHRPKGKWVSGFG-UHFFFAOYSA-N
XLogP4.29
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline?
The IUPAC name of 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline (CID 172553993) is 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline.
What is the SMILES notation for 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline?
The canonical SMILES for 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline is CC(C)(C)[Si](C)(C)OCCN1CC=C(c2ccc([N+](=O)[O-])c(N)c2)CC1.
What is the InChIKey of 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline?
The InChIKey is UQHRPKGKWVSGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3Si/c1-19(2,3)26(4,5)25-13-12-21-10-8-15(9-11-21)16-6-7-18(22(23)24)17(20)14-16/h6-8,14H,9-13,20H2,1-5H3.
What are the key properties of 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline?
5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline has a molecular weight of 377.56 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyridin-4-yl]-2-nitroaniline is sourced from PubChem (CID 172553993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).