(Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine

C22H38N2Si — CID 135049363

IUPAC(Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine
SMILESCCCCCCCC/C(CC[Si](C)(C)C)=N/N1CC1c1ccccc1
InChIInChI=1S/C22H38N2Si/c1-5-6-7-8-9-13-16-21(17-18-25(2,3)4)23-24-19-22(24)20-14-11-10-12-15-20/h10-12,14-15,22H,5-9,13,16-19H2,1-4H3/b23-21-
InChIKeyMFWRTQRLDLZUNZ-LNVKXUELSA-N
MW358.65 g/mol
LogP6.88
Rot. Bonds12

About (Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine

(Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine (PubChem CID 135049363) has the molecular formula C22H38N2Si and a molecular weight of 358.65 g/mol. Its IUPAC name is (Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine.

Molecular Properties

Compound Name(Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine
PubChem CID135049363
Molecular FormulaC22H38N2Si
Molecular Weight358.65 g/mol
Exact Mass358.28
IUPAC Name(Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine
SMILESCCCCCCCC/C(CC[Si](C)(C)C)=N/N1CC1c1ccccc1
InChIInChI=1S/C22H38N2Si/c1-5-6-7-8-9-13-16-21(17-18-25(2,3)4)23-24-19-22(24)20-14-11-10-12-15-20/h10-12,14-15,22H,5-9,13,16-19H2,1-4H3/b23-21-
InChIKeyMFWRTQRLDLZUNZ-LNVKXUELSA-N
XLogP6.88
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-1-phenyl-N-(2-phenylaziridin-1-yl)-5-trimethylsilylpentan-3-imine
CID 135049364
(1E)-N-(2-phenylaziridin-1-yl)ethanimidoyl isocyanate
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8-(3-methyl-2-oxo-5-phenylimidazolidin-1-yl)octanoic acid
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1-phenylheptadecan-1-one
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1-[(2S)-1-[(1R)-1-phenylethyl]aziridin-2-yl]hexadecan-1-one
CID 11783983
1-heptyl-5-methyl-2-phenylpiperazine
CID 64846339
2-phenylaziridine-1-carboxylic acid
CID 87708946
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
(3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid
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N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine?
The IUPAC name of (Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine (CID 135049363) is (Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine.
What is the SMILES notation for (Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine?
The canonical SMILES for (Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine is CCCCCCCC/C(CC[Si](C)(C)C)=N/N1CC1c1ccccc1.
What is the InChIKey of (Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine?
The InChIKey is MFWRTQRLDLZUNZ-LNVKXUELSA-N. The full InChI is InChI=1S/C22H38N2Si/c1-5-6-7-8-9-13-16-21(17-18-25(2,3)4)23-24-19-22(24)20-14-11-10-12-15-20/h10-12,14-15,22H,5-9,13,16-19H2,1-4H3/b23-21-.
What are the key properties of (Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine?
(Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine has a molecular weight of 358.65 g/mol, XLogP of 6.88, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-phenylaziridin-1-yl)-1-trimethylsilylundecan-3-imine is sourced from PubChem (CID 135049363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).