N,2-bis(2,4,6-trimethylphenyl)ethanimine

C20H25N — CID 58224188

IUPACN,2-bis(2,4,6-trimethylphenyl)ethanimine
SMILESCc1cc(C)c(C/C=N/c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H25N/c1-13-9-15(3)19(16(4)10-13)7-8-21-20-17(5)11-14(2)12-18(20)6/h8-12H,7H2,1-6H3/b21-8+
InChIKeyKTKYQHGNPZVQQW-ODCIPOBUSA-N
MW279.43 g/mol
LogP5.48
Rot. Bonds3

About N,2-bis(2,4,6-trimethylphenyl)ethanimine

N,2-bis(2,4,6-trimethylphenyl)ethanimine (PubChem CID 58224188) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N,2-bis(2,4,6-trimethylphenyl)ethanimine.

Molecular Properties

Compound NameN,2-bis(2,4,6-trimethylphenyl)ethanimine
PubChem CID58224188
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN,2-bis(2,4,6-trimethylphenyl)ethanimine
SMILESCc1cc(C)c(C/C=N/c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H25N/c1-13-9-15(3)19(16(4)10-13)7-8-21-20-17(5)11-14(2)12-18(20)6/h8-12H,7H2,1-6H3/b21-8+
InChIKeyKTKYQHGNPZVQQW-ODCIPOBUSA-N
XLogP5.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bis(2,4,6-trimethylphenyl)ethanimine?
The IUPAC name of N,2-bis(2,4,6-trimethylphenyl)ethanimine (CID 58224188) is N,2-bis(2,4,6-trimethylphenyl)ethanimine.
What is the SMILES notation for N,2-bis(2,4,6-trimethylphenyl)ethanimine?
The canonical SMILES for N,2-bis(2,4,6-trimethylphenyl)ethanimine is Cc1cc(C)c(C/C=N/c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N,2-bis(2,4,6-trimethylphenyl)ethanimine?
The InChIKey is KTKYQHGNPZVQQW-ODCIPOBUSA-N. The full InChI is InChI=1S/C20H25N/c1-13-9-15(3)19(16(4)10-13)7-8-21-20-17(5)11-14(2)12-18(20)6/h8-12H,7H2,1-6H3/b21-8+.
What are the key properties of N,2-bis(2,4,6-trimethylphenyl)ethanimine?
N,2-bis(2,4,6-trimethylphenyl)ethanimine has a molecular weight of 279.43 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(2,4,6-trimethylphenyl)ethanimine is sourced from PubChem (CID 58224188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).