N-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline

C14H19NSi — CID 54172325

IUPACN-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline
SMILESCC1=C([Si](C)(C)Nc2ccccc2)CC=C1
InChIInChI=1S/C14H19NSi/c1-12-8-7-11-14(12)16(2,3)15-13-9-5-4-6-10-13/h4-10,15H,11H2,1-3H3
InChIKeyOVWWSNJGVRFLIX-UHFFFAOYSA-N
MW229.40 g/mol
LogP4.12
Rot. Bonds3

About N-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline

N-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline (PubChem CID 54172325) has the molecular formula C14H19NSi and a molecular weight of 229.40 g/mol. Its IUPAC name is N-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline.

Molecular Properties

Compound NameN-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline
PubChem CID54172325
Molecular FormulaC14H19NSi
Molecular Weight229.40 g/mol
Exact Mass229.13
IUPAC NameN-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline
SMILESCC1=C([Si](C)(C)Nc2ccccc2)CC=C1
InChIInChI=1S/C14H19NSi/c1-12-8-7-11-14(12)16(2,3)15-13-9-5-4-6-10-13/h4-10,15H,11H2,1-3H3
InChIKeyOVWWSNJGVRFLIX-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.40
LogP ≤ 54.12
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

N-[chloro(dimethyl)silyl]aniline
CID 18000043
N-[(2-hexylcyclopenta-1,3-dien-1-yl)-diphenylsilyl]aniline
CID 23286701
N-[dimethyl-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)silyl]aniline
CID 11985095
N-[1-[2-(2-methylcyclopenta-1,3-dien-1-yl)phenyl]ethyl]aniline
CID 23016289
N-diphenylsilyl-2-methyl-N-trimethylsilylcyclopenta-1,3-dien-1-amine
CID 123796492
trimethyl-(2-phenylcyclohexa-1,4-dien-1-yl)silane
CID 71345894
trimethyl-(2-phenylcyclopenta-1,4-dien-1-yl)silane
CID 159054815
2-methyloxirane;N-phenylaniline
CID 174992525
(2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane
CID 123467419
N-[dimethyl-(2-methyl-7H-inden-4-yl)silyl]-3,5-dimethylaniline
CID 86657326
1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene
CID 173322239
1,2-dimethylcyclopenta-1,3-diene;zirconium
CID 174666436

Frequently Asked Questions

What is the IUPAC name of N-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline?
The IUPAC name of N-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline (CID 54172325) is N-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline.
What is the SMILES notation for N-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline?
The canonical SMILES for N-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline is CC1=C([Si](C)(C)Nc2ccccc2)CC=C1.
What is the InChIKey of N-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline?
The InChIKey is OVWWSNJGVRFLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NSi/c1-12-8-7-11-14(12)16(2,3)15-13-9-5-4-6-10-13/h4-10,15H,11H2,1-3H3.
What are the key properties of N-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline?
N-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline has a molecular weight of 229.40 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline is sourced from PubChem (CID 54172325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).