N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine

C23H31N3 — CID 18718526

IUPACN-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine
SMILESCc1cc(C)c(/N=C/CN(C)C/C=N/c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C23H31N3/c1-16-12-18(3)22(19(4)13-16)24-8-10-26(7)11-9-25-23-20(5)14-17(2)15-21(23)6/h8-9,12-15H,10-11H2,1-7H3/b24-8+,25-9+
InChIKeyRUMQKMSULUITAS-IQEGOQEASA-N
MW349.52 g/mol
LogP5.57
Rot. Bonds6

About N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine

N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine (PubChem CID 18718526) has the molecular formula C23H31N3 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine
PubChem CID18718526
Molecular FormulaC23H31N3
Molecular Weight349.52 g/mol
Exact Mass349.25
IUPAC NameN-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine
SMILESCc1cc(C)c(/N=C/CN(C)C/C=N/c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C23H31N3/c1-16-12-18(3)22(19(4)13-16)24-8-10-26(7)11-9-25-23-20(5)14-17(2)15-21(23)6/h8-9,12-15H,10-11H2,1-7H3/b24-8+,25-9+
InChIKeyRUMQKMSULUITAS-IQEGOQEASA-N
XLogP5.57
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.57
H-Bond Donors ≤ 50
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-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine?
The IUPAC name of N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine (CID 18718526) is N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine.
What is the SMILES notation for N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine?
The canonical SMILES for N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine is Cc1cc(C)c(/N=C/CN(C)C/C=N/c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine?
The InChIKey is RUMQKMSULUITAS-IQEGOQEASA-N. The full InChI is InChI=1S/C23H31N3/c1-16-12-18(3)22(19(4)13-16)24-8-10-26(7)11-9-25-23-20(5)14-17(2)15-21(23)6/h8-9,12-15H,10-11H2,1-7H3/b24-8+,25-9+.
What are the key properties of N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine?
N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine has a molecular weight of 349.52 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,4,6-trimethylphenyl)imino-N-[2-(2,4,6-trimethylphenyl)iminoethyl]ethanamine is sourced from PubChem (CID 18718526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).