N-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine

C21H25NSi — CID 173312745

IUPACN-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine
SMILESCC(C)(C)NC1=CCC=C1[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NSi/c1-21(2,3)22-19-15-10-16-20(19)23(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-16,22-23H,10H2,1-3H3
InChIKeyQYULGYJEULCVFV-UHFFFAOYSA-N
MW319.52 g/mol
LogP3.17
Rot. Bonds4

About N-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine

N-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine (PubChem CID 173312745) has the molecular formula C21H25NSi and a molecular weight of 319.52 g/mol. Its IUPAC name is N-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine
PubChem CID173312745
Molecular FormulaC21H25NSi
Molecular Weight319.52 g/mol
Exact Mass319.18
IUPAC NameN-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine
SMILESCC(C)(C)NC1=CCC=C1[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NSi/c1-21(2,3)22-19-15-10-16-20(19)23(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-16,22-23H,10H2,1-3H3
InChIKeyQYULGYJEULCVFV-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3,5-ditert-butylphenyl)-diphenylsilane
CID 150839348
N-diphenylsilyl-2-methylpropan-2-amine
CID 101496715
4-N-tert-butyl-1-N-phenylbenzene-1,4-diamine
CID 22245212
4-benzyl-N-tert-butyl-4,5-dihydro-1,3-thiazol-2-amine
CID 55169774
naphthalen-1-yl(diphenyl)silane
CID 5005118
dinaphthalen-1-yl(phenyl)silane
CID 137330836
bromo-tert-butyl-phenylsilane
CID 123583339
N-tert-butyl-2-[3-(dimethylamino)cyclopenta-1,3-dien-1-yl]aniline;ethane
CID 174473276
2-(tert-butylamino)phenol
CID 70671108
bromo(diphenyl)silane
CID 102303968
[(5-tert-butylcyclopenta-1,4-dien-1-yl)-diphenylmethyl]benzene
CID 173472951
(2-butylcyclopenta-1,3-dien-1-yl)-diphenylsilane
CID 150758352

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine?
The IUPAC name of N-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine (CID 173312745) is N-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine.
What is the SMILES notation for N-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine?
The canonical SMILES for N-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine is CC(C)(C)NC1=CCC=C1[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of N-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine?
The InChIKey is QYULGYJEULCVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NSi/c1-21(2,3)22-19-15-10-16-20(19)23(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-16,22-23H,10H2,1-3H3.
What are the key properties of N-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine?
N-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine has a molecular weight of 319.52 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-diphenylsilylcyclopenta-1,4-dien-1-amine is sourced from PubChem (CID 173312745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).