4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine

C28H44N2OSi — CID 69308518

IUPAC4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine
SMILESCC(C)(C)[Si](C)(C)OCCNC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C28H44N2OSi/c1-28(2,3)32(4,5)31-21-20-29-26-16-18-27(19-17-26)30(22-24-12-8-6-9-13-24)23-25-14-10-7-11-15-25/h6-15,26-27,29H,16-23H2,1-5H3
InChIKeyJWWGKPTWLWBSTK-UHFFFAOYSA-N
MW452.76 g/mol
LogP6.61
Rot. Bonds10

About 4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine

4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine (PubChem CID 69308518) has the molecular formula C28H44N2OSi and a molecular weight of 452.76 g/mol. Its IUPAC name is 4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine
PubChem CID69308518
Molecular FormulaC28H44N2OSi
Molecular Weight452.76 g/mol
Exact Mass452.32
IUPAC Name4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine
SMILESCC(C)(C)[Si](C)(C)OCCNC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C28H44N2OSi/c1-28(2,3)32(4,5)31-21-20-29-26-16-18-27(19-17-26)30(22-24-12-8-6-9-13-24)23-25-14-10-7-11-15-25/h6-15,26-27,29H,16-23H2,1-5H3
InChIKeyJWWGKPTWLWBSTK-UHFFFAOYSA-N
XLogP6.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.76
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine (CID 69308518) is 4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine is CC(C)(C)[Si](C)(C)OCCNC1CCC(N(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine?
The InChIKey is JWWGKPTWLWBSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2OSi/c1-28(2,3)32(4,5)31-21-20-29-26-16-18-27(19-17-26)30(22-24-12-8-6-9-13-24)23-25-14-10-7-11-15-25/h6-15,26-27,29H,16-23H2,1-5H3.
What are the key properties of 4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine?
4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine has a molecular weight of 452.76 g/mol, XLogP of 6.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibenzyl-1-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 69308518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).