(Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine

C22H30N2Si — CID 135049364

IUPAC(Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine
SMILESC[Si](C)(C)CC/C(CCc1ccccc1)=N\N1CC1c1ccccc1
InChIInChI=1S/C22H30N2Si/c1-25(2,3)17-16-21(15-14-19-10-6-4-7-11-19)23-24-18-22(24)20-12-8-5-9-13-20/h4-13,22H,14-18H2,1-3H3/b23-21-
InChIKeyYYRRNXNTHGCLGA-LNVKXUELSA-N
MW350.58 g/mol
LogP5.76
Rot. Bonds8

About (Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine

(Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine (PubChem CID 135049364) has the molecular formula C22H30N2Si and a molecular weight of 350.58 g/mol. Its IUPAC name is (Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine.

Molecular Properties

Compound Name(Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine
PubChem CID135049364
Molecular FormulaC22H30N2Si
Molecular Weight350.58 g/mol
Exact Mass350.22
IUPAC Name(Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine
SMILESC[Si](C)(C)CC/C(CCc1ccccc1)=N\N1CC1c1ccccc1
InChIInChI=1S/C22H30N2Si/c1-25(2,3)17-16-21(15-14-19-10-6-4-7-11-19)23-24-18-22(24)20-12-8-5-9-13-20/h4-13,22H,14-18H2,1-3H3/b23-21-
InChIKeyYYRRNXNTHGCLGA-LNVKXUELSA-N
XLogP5.76
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.58
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine
CID 135049363
(1E)-N-(2-phenylaziridin-1-yl)ethanimidoyl isocyanate
CID 177465689
(3R)-1-phenyl-5-trimethylsilylpentan-3-ol
CID 11601130
(E)-N-(2-phenylaziridin-1-yl)-1-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]methanimine
CID 177386915
3-phenyl-1-(2-phenylazetidin-1-yl)propan-1-one
CID 47034527
2-phenylaziridine-1-carboxylic acid
CID 87708946
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
(4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione
CID 8991301
4-[(3S)-3-[(2S)-2-phenylaziridin-1-yl]butyl]benzamide
CID 54436062
3-(4-methylphenyl)-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110416826
4-bromo-1-phenylpentan-3-one
CID 121216753

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine?
The IUPAC name of (Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine (CID 135049364) is (Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine.
What is the SMILES notation for (Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine?
The canonical SMILES for (Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine is C[Si](C)(C)CC/C(CCc1ccccc1)=N\N1CC1c1ccccc1.
What is the InChIKey of (Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine?
The InChIKey is YYRRNXNTHGCLGA-LNVKXUELSA-N. The full InChI is InChI=1S/C22H30N2Si/c1-25(2,3)17-16-21(15-14-19-10-6-4-7-11-19)23-24-18-22(24)20-12-8-5-9-13-20/h4-13,22H,14-18H2,1-3H3/b23-21-.
What are the key properties of (Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine?
(Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine has a molecular weight of 350.58 g/mol, XLogP of 5.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine is sourced from PubChem (CID 135049364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).