1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine

C21H33N3Si — CID 102041860

IUPAC1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine
SMILESC[Si]1(C)N(C2CCCCC2)C(=Nc2ccccc2)N1C1CCCCC1
InChIInChI=1S/C21H33N3Si/c1-25(2)23(19-14-8-4-9-15-19)21(22-18-12-6-3-7-13-18)24(25)20-16-10-5-11-17-20/h3,6-7,12-13,19-20H,4-5,8-11,14-17H2,1-2H3
InChIKeyFXPNWGIMLADCAF-UHFFFAOYSA-N
MW355.60 g/mol
LogP5.66
Rot. Bonds3

About 1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine

1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine (PubChem CID 102041860) has the molecular formula C21H33N3Si and a molecular weight of 355.60 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine
PubChem CID102041860
Molecular FormulaC21H33N3Si
Molecular Weight355.60 g/mol
Exact Mass355.24
IUPAC Name1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine
SMILESC[Si]1(C)N(C2CCCCC2)C(=Nc2ccccc2)N1C1CCCCC1
InChIInChI=1S/C21H33N3Si/c1-25(2)23(19-14-8-4-9-15-19)21(22-18-12-6-3-7-13-18)24(25)20-16-10-5-11-17-20/h3,6-7,12-13,19-20H,4-5,8-11,14-17H2,1-2H3
InChIKeyFXPNWGIMLADCAF-UHFFFAOYSA-N
XLogP5.66
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.60
LogP ≤ 55.66
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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Related Compounds

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CID 2846720
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CID 96883789
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CID 126124372
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CID 134985462
3-cyclohexyl-4-(3-nitrophenyl)-N-phenyl-1,3-thiazol-2-imine;hydrobromide
CID 20994492
2-cyclohexyl-N-methyl-3-phenyl-1,2,4-thiadiazol-5-imine
CID 175441062
(5Z)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 6253250
1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 13968
(5E)-3-cyclohexyl-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5290095
CID 102193133
CID 102193133

Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine?
The IUPAC name of 1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine (CID 102041860) is 1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine.
What is the SMILES notation for 1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine?
The canonical SMILES for 1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine is C[Si]1(C)N(C2CCCCC2)C(=Nc2ccccc2)N1C1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine?
The InChIKey is FXPNWGIMLADCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3Si/c1-25(2)23(19-14-8-4-9-15-19)21(22-18-12-6-3-7-13-18)24(25)20-16-10-5-11-17-20/h3,6-7,12-13,19-20H,4-5,8-11,14-17H2,1-2H3.
What are the key properties of 1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine?
1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine has a molecular weight of 355.60 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2,2-dimethyl-N-phenyl-1,3,2-diazasiletidin-4-imine is sourced from PubChem (CID 102041860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).