2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline

C25H29N3 — CID 122399400

IUPAC2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline
SMILESCc1cc(C)c(/N=C/c2cccc(CNc3c(C)cc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C25H29N3/c1-16-10-18(3)24(19(4)11-16)26-14-22-8-7-9-23(28-22)15-27-25-20(5)12-17(2)13-21(25)6/h7-14,27H,15H2,1-6H3/b26-14+
InChIKeyPJPPIQCKFGEMFB-VULFUBBASA-N
MW371.53 g/mol
LogP6.29
Rot. Bonds5

About 2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline

2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline (PubChem CID 122399400) has the molecular formula C25H29N3 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline
PubChem CID122399400
Molecular FormulaC25H29N3
Molecular Weight371.53 g/mol
Exact Mass371.24
IUPAC Name2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline
SMILESCc1cc(C)c(/N=C/c2cccc(CNc3c(C)cc(C)cc3C)n2)c(C)c1
InChIInChI=1S/C25H29N3/c1-16-10-18(3)24(19(4)11-16)26-14-22-8-7-9-23(28-22)15-27-25-20(5)12-17(2)13-21(25)6/h7-14,27H,15H2,1-6H3/b26-14+
InChIKeyPJPPIQCKFGEMFB-VULFUBBASA-N
XLogP6.29
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.53
LogP ≤ 56.29
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 2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline?
The IUPAC name of 2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline (CID 122399400) is 2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline.
What is the SMILES notation for 2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline?
The canonical SMILES for 2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline is Cc1cc(C)c(/N=C/c2cccc(CNc3c(C)cc(C)cc3C)n2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline?
The InChIKey is PJPPIQCKFGEMFB-VULFUBBASA-N. The full InChI is InChI=1S/C25H29N3/c1-16-10-18(3)24(19(4)11-16)26-14-22-8-7-9-23(28-22)15-27-25-20(5)12-17(2)13-21(25)6/h7-14,27H,15H2,1-6H3/b26-14+.
What are the key properties of 2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline?
2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline has a molecular weight of 371.53 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[[6-[(2,4,6-trimethylphenyl)iminomethyl]-2-pyridinyl]methyl]aniline is sourced from PubChem (CID 122399400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).