N-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine

C19H29NSi — CID 11277974

IUPACN-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine
SMILESCC(C)(C)[Si](C)(C)N=C=C(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H29NSi/c1-19(2,3)21(4,5)20-15-18(17-13-9-10-14-17)16-11-7-6-8-12-16/h6-8,11-12,17H,9-10,13-14H2,1-5H3
InChIKeyHVYPGACWYZRRJY-UHFFFAOYSA-N
MW299.53 g/mol
LogP5.94
Rot. Bonds3

About N-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine

N-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine (PubChem CID 11277974) has the molecular formula C19H29NSi and a molecular weight of 299.53 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine
PubChem CID11277974
Molecular FormulaC19H29NSi
Molecular Weight299.53 g/mol
Exact Mass299.21
IUPAC NameN-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine
SMILESCC(C)(C)[Si](C)(C)N=C=C(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H29NSi/c1-19(2,3)21(4,5)20-15-18(17-13-9-10-14-17)16-11-7-6-8-12-16/h6-8,11-12,17H,9-10,13-14H2,1-5H3
InChIKeyHVYPGACWYZRRJY-UHFFFAOYSA-N
XLogP5.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.53
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine (CID 11277974) is N-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine is CC(C)(C)[Si](C)(C)N=C=C(c1ccccc1)C1CCCC1.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine?
The InChIKey is HVYPGACWYZRRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NSi/c1-19(2,3)21(4,5)20-15-18(17-13-9-10-14-17)16-11-7-6-8-12-16/h6-8,11-12,17H,9-10,13-14H2,1-5H3.
What are the key properties of N-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine?
N-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine has a molecular weight of 299.53 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine is sourced from PubChem (CID 11277974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).