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

C16H25N — CID 13444995

IUPACN-tert-butyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine
SMILESCc1c(C)c(C)c(/C=N/C(C)(C)C)c(C)c1C
InChIInChI=1S/C16H25N/c1-10-11(2)13(4)15(14(5)12(10)3)9-17-16(6,7)8/h9H,1-8H3/b17-9+
InChIKeyDWSJENKDEXLDOV-RQZCQDPDSA-N
MW231.38 g/mol
LogP4.45
Rot. Bonds1

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

N-tert-butyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine (PubChem CID 13444995) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-tert-butyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine
PubChem CID13444995
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-tert-butyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine
SMILESCc1c(C)c(C)c(/C=N/C(C)(C)C)c(C)c1C
InChIInChI=1S/C16H25N/c1-10-11(2)13(4)15(14(5)12(10)3)9-17-16(6,7)8/h9H,1-8H3/b17-9+
InChIKeyDWSJENKDEXLDOV-RQZCQDPDSA-N
XLogP4.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.45
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-tert-butyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
The IUPAC name of N-tert-butyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine (CID 13444995) is N-tert-butyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine is Cc1c(C)c(C)c(/C=N/C(C)(C)C)c(C)c1C.
What is the InChIKey of N-tert-butyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
The InChIKey is DWSJENKDEXLDOV-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H25N/c1-10-11(2)13(4)15(14(5)12(10)3)9-17-16(6,7)8/h9H,1-8H3/b17-9+.
What are the key properties of N-tert-butyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
N-tert-butyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine has a molecular weight of 231.38 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2,3,4,5,6-pentamethylphenyl)methanimine is sourced from PubChem (CID 13444995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).