(E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine

C25H39NOSi — CID 154721264

IUPAC(E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine
SMILESCC(C)[Si](C#CCC1CCCC/C1=N\OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C25H39NOSi/c1-20(2)28(21(3)4,22(5)6)18-12-16-24-15-10-11-17-25(24)26-27-19-23-13-8-7-9-14-23/h7-9,13-14,20-22,24H,10-11,15-17,19H2,1-6H3/b26-25+
InChIKeyRMZJPPDQLLGNDJ-OCEACIFDSA-N
MW397.68 g/mol
LogP7.36
Rot. Bonds7

About (E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine

(E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine (PubChem CID 154721264) has the molecular formula C25H39NOSi and a molecular weight of 397.68 g/mol. Its IUPAC name is (E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine.

Molecular Properties

Compound Name(E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine
PubChem CID154721264
Molecular FormulaC25H39NOSi
Molecular Weight397.68 g/mol
Exact Mass397.28
IUPAC Name(E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine
SMILESCC(C)[Si](C#CCC1CCCC/C1=N\OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C25H39NOSi/c1-20(2)28(21(3)4,22(5)6)18-12-16-24-15-10-11-17-25(24)26-27-19-23-13-8-7-9-14-23/h7-9,13-14,20-22,24H,10-11,15-17,19H2,1-6H3/b26-25+
InChIKeyRMZJPPDQLLGNDJ-OCEACIFDSA-N
XLogP7.36
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.68
LogP ≤ 57.36
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine?
The IUPAC name of (E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine (CID 154721264) is (E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine.
What is the SMILES notation for (E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine?
The canonical SMILES for (E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine is CC(C)[Si](C#CCC1CCCC/C1=N\OCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine?
The InChIKey is RMZJPPDQLLGNDJ-OCEACIFDSA-N. The full InChI is InChI=1S/C25H39NOSi/c1-20(2)28(21(3)4,22(5)6)18-12-16-24-15-10-11-17-25(24)26-27-19-23-13-8-7-9-14-23/h7-9,13-14,20-22,24H,10-11,15-17,19H2,1-6H3/b26-25+.
What are the key properties of (E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine?
(E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine has a molecular weight of 397.68 g/mol, XLogP of 7.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenylmethoxy-2-[3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-imine is sourced from PubChem (CID 154721264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).