N,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine

C31H46N2 — CID 22706934

IUPACN,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine
SMILESCC(C)c1cc(C(C)C)c(N=C=Nc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C31H46N2/c1-18(2)24-13-26(20(5)6)30(27(14-24)21(7)8)32-17-33-31-28(22(9)10)15-25(19(3)4)16-29(31)23(11)12/h13-16,18-23H,1-12H3
InChIKeyWRWZSGSJXXFJOZ-UHFFFAOYSA-N
MW446.72 g/mol
LogP10.56
Rot. Bonds8

About N,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine

N,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine (PubChem CID 22706934) has the molecular formula C31H46N2 and a molecular weight of 446.72 g/mol. Its IUPAC name is N,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine.

Molecular Properties

Compound NameN,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine
PubChem CID22706934
Molecular FormulaC31H46N2
Molecular Weight446.72 g/mol
Exact Mass446.37
IUPAC NameN,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine
SMILESCC(C)c1cc(C(C)C)c(N=C=Nc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1
InChIInChI=1S/C31H46N2/c1-18(2)24-13-26(20(5)6)30(27(14-24)21(7)8)32-17-33-31-28(22(9)10)15-25(19(3)4)16-29(31)23(11)12/h13-16,18-23H,1-12H3
InChIKeyWRWZSGSJXXFJOZ-UHFFFAOYSA-N
XLogP10.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.72
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine?
The IUPAC name of N,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine (CID 22706934) is N,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine.
What is the SMILES notation for N,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine?
The canonical SMILES for N,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine is CC(C)c1cc(C(C)C)c(N=C=Nc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1.
What is the InChIKey of N,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine?
The InChIKey is WRWZSGSJXXFJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N2/c1-18(2)24-13-26(20(5)6)30(27(14-24)21(7)8)32-17-33-31-28(22(9)10)15-25(19(3)4)16-29(31)23(11)12/h13-16,18-23H,1-12H3.
What are the key properties of N,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine?
N,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine has a molecular weight of 446.72 g/mol, XLogP of 10.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2,4,6-tri(propan-2-yl)phenyl]methanediimine is sourced from PubChem (CID 22706934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).