2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline

C19H32BrNSi — CID 162299094

IUPAC2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline
SMILESCc1cc(C)c(N[Si](C)(C)C2C(C)C(C)C(C)C2C)c(Br)c1
InChIInChI=1S/C19H32BrNSi/c1-11-9-12(2)18(17(20)10-11)21-22(7,8)19-15(5)13(3)14(4)16(19)6/h9-10,13-16,19,21H,1-8H3
InChIKeyCJUNRSDMRPGSAD-UHFFFAOYSA-N
MW382.46 g/mol
LogP6.61
Rot. Bonds3

About 2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline

2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline (PubChem CID 162299094) has the molecular formula C19H32BrNSi and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline.

Molecular Properties

Compound Name2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline
PubChem CID162299094
Molecular FormulaC19H32BrNSi
Molecular Weight382.46 g/mol
Exact Mass381.15
IUPAC Name2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline
SMILESCc1cc(C)c(N[Si](C)(C)C2C(C)C(C)C(C)C2C)c(Br)c1
InChIInChI=1S/C19H32BrNSi/c1-11-9-12(2)18(17(20)10-11)21-22(7,8)19-15(5)13(3)14(4)16(19)6/h9-10,13-16,19,21H,1-8H3
InChIKeyCJUNRSDMRPGSAD-UHFFFAOYSA-N
XLogP6.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 56.61
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

2-(2-bromo-4,6-dimethylanilino)-N-carbamoylacetamide
CID 81496528
4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline
CID 58897752
1-(2-bromo-4,6-dimethylphenyl)-3-methylthiourea
CID 116509575
(4-bromo-2,6-dimethylphenyl)-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;4-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2,6-dimethylaniline;carbanide;dichlorotitanium
CID 162299027
2-bromo-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,6-dimethylaniline
CID 104562698
3-(2-bromo-4,6-dimethylanilino)-1-methylpyrrolidin-2-one
CID 81495857
N-(2,6-dibromo-4-methylphenyl)oxetan-3-amine
CID 63623093
(2-methoxy-3,5-dimethylphenyl)-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane
CID 72502399
5-(aminomethyl)-N-(2-bromo-4,6-dimethylphenyl)-2-methylfuran-3-sulfonamide
CID 106072933
2-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethylaniline
CID 82892931
4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine
CID 101490319
3-[(2-bromo-4,6-dimethylanilino)methyl]pentan-3-ol
CID 114493437

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline?
The IUPAC name of 2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline (CID 162299094) is 2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline.
What is the SMILES notation for 2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline?
The canonical SMILES for 2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline is Cc1cc(C)c(N[Si](C)(C)C2C(C)C(C)C(C)C2C)c(Br)c1.
What is the InChIKey of 2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline?
The InChIKey is CJUNRSDMRPGSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32BrNSi/c1-11-9-12(2)18(17(20)10-11)21-22(7,8)19-15(5)13(3)14(4)16(19)6/h9-10,13-16,19,21H,1-8H3.
What are the key properties of 2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline?
2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline has a molecular weight of 382.46 g/mol, XLogP of 6.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-4,6-dimethylaniline is sourced from PubChem (CID 162299094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).