N-ditert-butylsilylaniline

C14H25NSi — CID 123559460

IUPACN-ditert-butylsilylaniline
SMILESCC(C)(C)[SiH](Nc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H25NSi/c1-13(2,3)16(14(4,5)6)15-12-10-8-7-9-11-12/h7-11,15-16H,1-6H3
InChIKeyPBXKLWRQALNEHW-UHFFFAOYSA-N
MW235.45 g/mol
LogP4.42
Rot. Bonds2

About N-ditert-butylsilylaniline

N-ditert-butylsilylaniline (PubChem CID 123559460) has the molecular formula C14H25NSi and a molecular weight of 235.45 g/mol. Its IUPAC name is N-ditert-butylsilylaniline.

Molecular Properties

Compound NameN-ditert-butylsilylaniline
PubChem CID123559460
Molecular FormulaC14H25NSi
Molecular Weight235.45 g/mol
Exact Mass235.18
IUPAC NameN-ditert-butylsilylaniline
SMILESCC(C)(C)[SiH](Nc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H25NSi/c1-13(2,3)16(14(4,5)6)15-12-10-8-7-9-11-12/h7-11,15-16H,1-6H3
InChIKeyPBXKLWRQALNEHW-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ditert-butylsilylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dimethoxysilylaniline
CID 154073856
N-[anilino(phenyl)silyl]aniline
CID 135058729
phenylaluminum(2+)
CID 16688411
N-(2-methylsulfonylpropan-2-yl)aniline
CID 173038305
N-ethylaniline;formamide
CID 174905180
N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline
CID 66545590
2-anilino-2-hydroxypropanoic acid
CID 159388558
N-(2,2-dimethyl-1-phenylpropyl)aniline
CID 11402191
phenylcarbamothioic S-acid;hydrofluoride
CID 175225521
3-anilino-2,2-dimethylpropanoic acid
CID 13028386
4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine
CID 22245212
2,3-dimethyl-3-N-phenylbutane-2,3-diamine
CID 141069242

Frequently Asked Questions

What is the IUPAC name of N-ditert-butylsilylaniline?
The IUPAC name of N-ditert-butylsilylaniline (CID 123559460) is N-ditert-butylsilylaniline.
What is the SMILES notation for N-ditert-butylsilylaniline?
The canonical SMILES for N-ditert-butylsilylaniline is CC(C)(C)[SiH](Nc1ccccc1)C(C)(C)C.
What is the InChIKey of N-ditert-butylsilylaniline?
The InChIKey is PBXKLWRQALNEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NSi/c1-13(2,3)16(14(4,5)6)15-12-10-8-7-9-11-12/h7-11,15-16H,1-6H3.
What are the key properties of N-ditert-butylsilylaniline?
N-ditert-butylsilylaniline has a molecular weight of 235.45 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ditert-butylsilylaniline is sourced from PubChem (CID 123559460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).