cobalt;2,4,6-trimethylaniline

C9H13CoN — CID 159454360

IUPACcobalt;2,4,6-trimethylaniline
SMILESCc1cc(C)c(N)c(C)c1.[Co]
InChIInChI=1S/C9H13N.Co/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;
InChIKeyISZLWDCHHGYQOP-UHFFFAOYSA-N
MW194.14 g/mol
LogP2.19
Rot. Bonds

About cobalt;2,4,6-trimethylaniline

cobalt;2,4,6-trimethylaniline (PubChem CID 159454360) has the molecular formula C9H13CoN and a molecular weight of 194.14 g/mol. Its IUPAC name is cobalt;2,4,6-trimethylaniline.

Molecular Properties

Compound Namecobalt;2,4,6-trimethylaniline
PubChem CID159454360
Molecular FormulaC9H13CoN
Molecular Weight194.14 g/mol
Exact Mass194.04
IUPAC Namecobalt;2,4,6-trimethylaniline
SMILESCc1cc(C)c(N)c(C)c1.[Co]
InChIInChI=1S/C9H13N.Co/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;
InChIKeyISZLWDCHHGYQOP-UHFFFAOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cobalt;2,4,6-trimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethylaniline;2,4,6-trimethylaniline
CID 159725455
N,N-dideuterio-2,4,6-trimethylaniline
CID 138396120
2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline
CID 18699529
2,4,6-tritert-butylaniline;2,4,6-trimethylaniline
CID 67732973
bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride
CID 69109128
1-N-(2,5-dimethylphenyl)-3,5-dimethylbenzene-1,2-diamine
CID 57130016
2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane
CID 157177077
2,4-dimethyl-6-thionitrosoaniline
CID 123917345
4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride
CID 51066481
2-(1-aminoprop-2-enyl)-4,6-dimethylaniline
CID 55282340
2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline
CID 143122644
2,4-dimethyl-6-prop-1-en-2-ylaniline
CID 144506945

Frequently Asked Questions

What is the IUPAC name of cobalt;2,4,6-trimethylaniline?
The IUPAC name of cobalt;2,4,6-trimethylaniline (CID 159454360) is cobalt;2,4,6-trimethylaniline.
What is the SMILES notation for cobalt;2,4,6-trimethylaniline?
The canonical SMILES for cobalt;2,4,6-trimethylaniline is Cc1cc(C)c(N)c(C)c1.[Co].
What is the InChIKey of cobalt;2,4,6-trimethylaniline?
The InChIKey is ISZLWDCHHGYQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.Co/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;.
What are the key properties of cobalt;2,4,6-trimethylaniline?
cobalt;2,4,6-trimethylaniline has a molecular weight of 194.14 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2,4,6-trimethylaniline is sourced from PubChem (CID 159454360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).