N,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine

C23H31N — CID 20715692

IUPACN,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine
SMILESCc1c(C)c(C)c(/C=N/c2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C23H31N/c1-12-14(3)18(7)22(19(8)15(12)4)11-24-23-20(9)16(5)13(2)17(6)21(23)10/h11H,1-10H3/b24-11+
InChIKeyUUXOMCUVWGBSTF-BHGWPJFGSA-N
MW321.51 g/mol
LogP6.52
Rot. Bonds2

About N,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine

N,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine (PubChem CID 20715692) has the molecular formula C23H31N and a molecular weight of 321.51 g/mol. Its IUPAC name is N,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine.

Molecular Properties

Compound NameN,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine
PubChem CID20715692
Molecular FormulaC23H31N
Molecular Weight321.51 g/mol
Exact Mass321.25
IUPAC NameN,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine
SMILESCc1c(C)c(C)c(/C=N/c2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C23H31N/c1-12-14(3)18(7)22(19(8)15(12)4)11-24-23-20(9)16(5)13(2)17(6)21(23)10/h11H,1-10H3/b24-11+
InChIKeyUUXOMCUVWGBSTF-BHGWPJFGSA-N
XLogP6.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine?
The IUPAC name of N,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine (CID 20715692) is N,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine.
What is the SMILES notation for N,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine?
The canonical SMILES for N,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine is Cc1c(C)c(C)c(/C=N/c2c(C)c(C)c(C)c(C)c2C)c(C)c1C.
What is the InChIKey of N,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine?
The InChIKey is UUXOMCUVWGBSTF-BHGWPJFGSA-N. The full InChI is InChI=1S/C23H31N/c1-12-14(3)18(7)22(19(8)15(12)4)11-24-23-20(9)16(5)13(2)17(6)21(23)10/h11H,1-10H3/b24-11+.
What are the key properties of N,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine?
N,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine has a molecular weight of 321.51 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(2,3,4,5,6-pentamethylphenyl)methanimine is sourced from PubChem (CID 20715692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).