3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine

C12H22N2Si — CID 91724211

IUPAC3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine
SMILESCC(C)(C)[Si](C)(C)Nc1cccc(N)c1
InChIInChI=1S/C12H22N2Si/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-9,14H,13H2,1-5H3
InChIKeyFEEUXIMIOFQTBE-UHFFFAOYSA-N
MW222.41 g/mol
LogP3.69
Rot. Bonds2

About 3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine

3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine (PubChem CID 91724211) has the molecular formula C12H22N2Si and a molecular weight of 222.41 g/mol. Its IUPAC name is 3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine
PubChem CID91724211
Molecular FormulaC12H22N2Si
Molecular Weight222.41 g/mol
Exact Mass222.16
IUPAC Name3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine
SMILESCC(C)(C)[Si](C)(C)Nc1cccc(N)c1
InChIInChI=1S/C12H22N2Si/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-9,14H,13H2,1-5H3
InChIKeyFEEUXIMIOFQTBE-UHFFFAOYSA-N
XLogP3.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

M-Phenylenediamine
CID 7935
M-phenylenediamine dihydrochloride
CID 10941
1,3,5-Triaminobenzene
CID 66952
Silanamine, 1,1,1-trimethyl-N-phenyl-
CID 77381
Silanediamine, 1,1-dimethyl-N,N'-diphenyl-
CID 83444
Silanamine, 1,1,1-trimethyl-N-phenyl-N-(trimethylsilyl)-
CID 138134
m-Phenylenediamine hydrochloride
CID 6365246
Silanamine, 1-(1,1-dimethylethyl)-1,1-dimethyl-N-phenyl-
CID 11492173
N-(4-Fluorophenyl)-1,1,1-trimethylsilanamine
CID 71359923
1,2-Benzenediamine, N,N'-bis(trimethylsilyl)-
CID 3461082
1,4-Benzenediamine, N,N'-bis(trimethylsilyl)-
CID 5257303
3-(Trimethylsilyl)aniline
CID 12488883

Frequently Asked Questions

What is the IUPAC name of 3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine?
The IUPAC name of 3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine (CID 91724211) is 3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine?
The canonical SMILES for 3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine is CC(C)(C)[Si](C)(C)Nc1cccc(N)c1.
What is the InChIKey of 3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine?
The InChIKey is FEEUXIMIOFQTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2Si/c1-12(2,3)15(4,5)14-11-8-6-7-10(13)9-11/h6-9,14H,13H2,1-5H3.
What are the key properties of 3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine?
3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine has a molecular weight of 222.41 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[tert-butyl(dimethyl)silyl]benzene-1,3-diamine is sourced from PubChem (CID 91724211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).