N'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide

C26H40N4Si2 — CID 101174794

IUPACN'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide
SMILESC[Si](C)(C)N/C(=N\[C@H]1CCCC[C@@H]1/N=C(\N[Si](C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40N4Si2/c1-31(2,3)29-25(21-15-9-7-10-16-21)27-23-19-13-14-20-24(23)28-26(30-32(4,5)6)22-17-11-8-12-18-22/h7-12,15-18,23-24H,13-14,19-20H2,1-6H3,(H,27,29)(H,28,30)/t23-,24-/m0/s1
InChIKeyHJDCJIGKHDLTQU-ZEQRLZLVSA-N
MW464.81 g/mol
LogP6.04
Rot. Bonds6

About N'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide

N'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide (PubChem CID 101174794) has the molecular formula C26H40N4Si2 and a molecular weight of 464.81 g/mol. Its IUPAC name is N'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide
PubChem CID101174794
Molecular FormulaC26H40N4Si2
Molecular Weight464.81 g/mol
Exact Mass464.28
IUPAC NameN'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide
SMILESC[Si](C)(C)N/C(=N\[C@H]1CCCC[C@@H]1/N=C(\N[Si](C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H40N4Si2/c1-31(2,3)29-25(21-15-9-7-10-16-21)27-23-19-13-14-20-24(23)28-26(30-32(4,5)6)22-17-11-8-12-18-22/h7-12,15-18,23-24H,13-14,19-20H2,1-6H3,(H,27,29)(H,28,30)/t23-,24-/m0/s1
InChIKeyHJDCJIGKHDLTQU-ZEQRLZLVSA-N
XLogP6.04
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.81
LogP ≤ 56.04
H-Bond Donors ≤ 52
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': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide?
The IUPAC name of N'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide (CID 101174794) is N'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide.
What is the SMILES notation for N'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide?
The canonical SMILES for N'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide is C[Si](C)(C)N/C(=N\[C@H]1CCCC[C@@H]1/N=C(\N[Si](C)(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide?
The InChIKey is HJDCJIGKHDLTQU-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H40N4Si2/c1-31(2,3)29-25(21-15-9-7-10-16-21)27-23-19-13-14-20-24(23)28-26(30-32(4,5)6)22-17-11-8-12-18-22/h7-12,15-18,23-24H,13-14,19-20H2,1-6H3,(H,27,29)(H,28,30)/t23-,24-/m0/s1.
What are the key properties of N'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide?
N'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide has a molecular weight of 464.81 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S,2S)-2-[[phenyl-(trimethylsilylamino)methylidene]amino]cyclohexyl]-N-trimethylsilylbenzenecarboximidamide is sourced from PubChem (CID 101174794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).