N-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline

C18H27NOSi — CID 131720370

IUPACN-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline
SMILESCOc1ccccc1N[Si](C)(C)C1(C)C=C(C)C(C)=C1C
InChIInChI=1S/C18H27NOSi/c1-13-12-18(4,15(3)14(13)2)21(6,7)19-16-10-8-9-11-17(16)20-5/h8-12,19H,1-7H3
InChIKeySIDJDBWKLCWPSY-UHFFFAOYSA-N
MW301.51 g/mol
LogP5.37
Rot. Bonds4

About N-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline

N-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline (PubChem CID 131720370) has the molecular formula C18H27NOSi and a molecular weight of 301.51 g/mol. Its IUPAC name is N-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline
PubChem CID131720370
Molecular FormulaC18H27NOSi
Molecular Weight301.51 g/mol
Exact Mass301.19
IUPAC NameN-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline
SMILESCOc1ccccc1N[Si](C)(C)C1(C)C=C(C)C(C)=C1C
InChIInChI=1S/C18H27NOSi/c1-13-12-18(4,15(3)14(13)2)21(6,7)19-16-10-8-9-11-17(16)20-5/h8-12,19H,1-7H3
InChIKeySIDJDBWKLCWPSY-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.51
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(2,3,4,6-tetramethoxy-5-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173474089
N-(2-methoxyphenyl)-3-methylquinoxalin-2-amine
CID 23821079
N-(2-methoxyphenyl)-2,4-dimethylimidazol-1-amine
CID 175855510
N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776
bis(3,5-dimethylphenyl)-phenyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 173472930
2-methoxy-N-phenylaniline
CID 10910514
2-methoxy-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43173433
(2-methoxyanilino)methanone
CID 91159074
N-(2-methoxyphenyl)methanethioamide
CID 12770215
N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 2363426
6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878329
methyl 1-(2-methoxyanilino)cyclopropane-1-carboxylate
CID 103439505

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline?
The IUPAC name of N-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline (CID 131720370) is N-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline.
What is the SMILES notation for N-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline?
The canonical SMILES for N-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline is COc1ccccc1N[Si](C)(C)C1(C)C=C(C)C(C)=C1C.
What is the InChIKey of N-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline?
The InChIKey is SIDJDBWKLCWPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NOSi/c1-13-12-18(4,15(3)14(13)2)21(6,7)19-16-10-8-9-11-17(16)20-5/h8-12,19H,1-7H3.
What are the key properties of N-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline?
N-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline has a molecular weight of 301.51 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silyl]-2-methoxyaniline is sourced from PubChem (CID 131720370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).