N-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine

C25H39NOSi3 — CID 87935848

IUPACN-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine
SMILESCC[Si](C)(C)[Si]1(C)c2c3c(c(O[Si](C)(C)C)c(NC(C)(C)C)c21)-c1ccccc1C3
InChIInChI=1S/C25H39NOSi3/c1-11-29(8,9)30(10)23-19-16-17-14-12-13-15-18(17)20(19)22(27-28(5,6)7)21(24(23)30)26-25(2,3)4/h12-15,26H,11,16H2,1-10H3
InChIKeyXABWBTHDUTWOAZ-UHFFFAOYSA-N
MW453.85 g/mol
LogP5.99
Rot. Bonds5

About N-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine

N-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine (PubChem CID 87935848) has the molecular formula C25H39NOSi3 and a molecular weight of 453.85 g/mol. Its IUPAC name is N-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine.

Molecular Properties

Compound NameN-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine
PubChem CID87935848
Molecular FormulaC25H39NOSi3
Molecular Weight453.85 g/mol
Exact Mass453.23
IUPAC NameN-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine
SMILESCC[Si](C)(C)[Si]1(C)c2c3c(c(O[Si](C)(C)C)c(NC(C)(C)C)c21)-c1ccccc1C3
InChIInChI=1S/C25H39NOSi3/c1-11-29(8,9)30(10)23-19-16-17-14-12-13-15-18(17)20(19)22(27-28(5,6)7)21(24(23)30)26-25(2,3)4/h12-15,26H,11,16H2,1-10H3
InChIKeyXABWBTHDUTWOAZ-UHFFFAOYSA-N
XLogP5.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.85
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine with MolForge

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Related Compounds

1-[tert-butyl(dimethyl)silyl]oxy-9-methyl-9H-fluorene-2,7-diamine
CID 68470774
1-[tert-butyl(dimethyl)silyl]oxy-9-methyl-9H-fluoren-2-amine
CID 68470807
CID 87935847
CID 87935847
CID 87935924
CID 87935924
CID 87935934
CID 87935934
CID 87935963
CID 87935963
CID 87935972
CID 87935972
N-tert-butyl-1-[ethyl(dimethyl)silyl]-1-methyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride
CID 87935996
CID 87936096
CID 87936096
CID 87936222
CID 87936222
CID 87936224
CID 87936224
N-tert-butyl-1-methyl-1-propyl-3-trimethylsilyloxy-6H-indeno[1,2-b]siliren-6-id-2-amine;zirconium(3+);dichloride
CID 87936277

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine?
The IUPAC name of N-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine (CID 87935848) is N-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine.
What is the SMILES notation for N-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine?
The canonical SMILES for N-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine is CC[Si](C)(C)[Si]1(C)c2c3c(c(O[Si](C)(C)C)c(NC(C)(C)C)c21)-c1ccccc1C3.
What is the InChIKey of N-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine?
The InChIKey is XABWBTHDUTWOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NOSi3/c1-11-29(8,9)30(10)23-19-16-17-14-12-13-15-18(17)20(19)22(27-28(5,6)7)21(24(23)30)26-25(2,3)4/h12-15,26H,11,16H2,1-10H3.
What are the key properties of N-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine?
N-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine has a molecular weight of 453.85 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-11-[ethyl(dimethyl)silyl]-11-methyl-14-trimethylsilyloxy-11-silatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2,4,6,10(12),13-hexaen-13-amine is sourced from PubChem (CID 87935848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).