N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine

C23H25N3 — CID 126613582

IUPACN-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine
SMILESCc1cccc(C)c1/N=C/Cc1cccc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C23H25N3/c1-16-8-5-9-17(2)22(16)24-15-14-20-12-7-13-21(25-20)26-23-18(3)10-6-11-19(23)4/h5-13,15H,14H2,1-4H3,(H,25,26)/b24-15+
InChIKeyBVXIOBJECNFICS-BUVRLJJBSA-N
MW343.47 g/mol
LogP6.00
Rot. Bonds5

About N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine

N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine (PubChem CID 126613582) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine
PubChem CID126613582
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC NameN-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine
SMILESCc1cccc(C)c1/N=C/Cc1cccc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C23H25N3/c1-16-8-5-9-17(2)22(16)24-15-14-20-12-7-13-21(25-20)26-23-18(3)10-6-11-19(23)4/h5-13,15H,14H2,1-4H3,(H,25,26)/b24-15+
InChIKeyBVXIOBJECNFICS-BUVRLJJBSA-N
XLogP6.00
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine (CID 126613582) is N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine is Cc1cccc(C)c1/N=C/Cc1cccc(Nc2c(C)cccc2C)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine?
The InChIKey is BVXIOBJECNFICS-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H25N3/c1-16-8-5-9-17(2)22(16)24-15-14-20-12-7-13-21(25-20)26-23-18(3)10-6-11-19(23)4/h5-13,15H,14H2,1-4H3,(H,25,26)/b24-15+.
What are the key properties of N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine?
N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine has a molecular weight of 343.47 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-6-[2-(2,6-dimethylphenyl)iminoethyl]pyridin-2-amine is sourced from PubChem (CID 126613582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).