CID 67897123

C7H9NSi — CID 67897123

IUPAC—
SMILESCc1ccccc1N.[Si]
InChIInChI=1S/C7H9N.Si/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;
InChIKeyOQTTUDHDWBZCJJ-UHFFFAOYSA-N
MW135.24 g/mol
LogP1.20
Rot. Bonds

About CID 67897123

CID 67897123 (PubChem CID 67897123) has the molecular formula C7H9NSi and a molecular weight of 135.24 g/mol.

Molecular Properties

Compound NameCID 67897123
PubChem CID67897123
Molecular FormulaC7H9NSi
Molecular Weight135.24 g/mol
Exact Mass135.05
IUPAC Name—
SMILESCc1ccccc1N.[Si]
InChIInChI=1S/C7H9N.Si/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;
InChIKeyOQTTUDHDWBZCJJ-UHFFFAOYSA-N
XLogP1.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 175394275
CID 175394275
2-methylaniline;dihydrochloride
CID 23331471
CID 159002136
CID 159002136
tris(2-methylaniline);phosphane
CID 158408493
ethane;methanamine;2-methylaniline
CID 91356397
deuteriomethane;2-methylaniline
CID 90744870
N,N-dimethylmethanamine;2-methylaniline
CID 174412120
2-methylaniline;2-methylpropane
CID 91027920
bis(2-methylaniline);propane
CID 158079245
ethane;2-methylaniline;propane
CID 144801075
2,6-dimethylaniline;2-methylaniline
CID 160714609
acetaldehyde;ethane;2-methylaniline
CID 144857558

Frequently Asked Questions

What is the IUPAC name of CID 67897123?
The IUPAC name of CID 67897123 (CID 67897123) is not available.
What is the SMILES notation for CID 67897123?
The canonical SMILES for CID 67897123 is Cc1ccccc1N.[Si].
What is the InChIKey of CID 67897123?
The InChIKey is OQTTUDHDWBZCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.Si/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;.
What are the key properties of CID 67897123?
CID 67897123 has a molecular weight of 135.24 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67897123 is sourced from PubChem (CID 67897123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).