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

C17H27N — CID 23252216

IUPACN-(2,2-dimethylpropyl)-1-(2,3,4,5,6-pentamethylphenyl)methanimine
SMILESCc1c(C)c(C)c(/C=N/CC(C)(C)C)c(C)c1C
InChIInChI=1S/C17H27N/c1-11-12(2)14(4)16(15(5)13(11)3)9-18-10-17(6,7)8/h9H,10H2,1-8H3/b18-9+
InChIKeyNTINRBKSTANQSU-GIJQJNRQSA-N
MW245.41 g/mol
LogP4.69
Rot. Bonds2

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

N-(2,2-dimethylpropyl)-1-(2,3,4,5,6-pentamethylphenyl)methanimine (PubChem CID 23252216) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-(2,3,4,5,6-pentamethylphenyl)methanimine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-(2,3,4,5,6-pentamethylphenyl)methanimine
PubChem CID23252216
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(2,2-dimethylpropyl)-1-(2,3,4,5,6-pentamethylphenyl)methanimine
SMILESCc1c(C)c(C)c(/C=N/CC(C)(C)C)c(C)c1C
InChIInChI=1S/C17H27N/c1-11-12(2)14(4)16(15(5)13(11)3)9-18-10-17(6,7)8/h9H,10H2,1-8H3/b18-9+
InChIKeyNTINRBKSTANQSU-GIJQJNRQSA-N
XLogP4.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.69
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-(2,2-dimethylpropyl)-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
The IUPAC name of N-(2,2-dimethylpropyl)-1-(2,3,4,5,6-pentamethylphenyl)methanimine (CID 23252216) is N-(2,2-dimethylpropyl)-1-(2,3,4,5,6-pentamethylphenyl)methanimine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-(2,3,4,5,6-pentamethylphenyl)methanimine is Cc1c(C)c(C)c(/C=N/CC(C)(C)C)c(C)c1C.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
The InChIKey is NTINRBKSTANQSU-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H27N/c1-11-12(2)14(4)16(15(5)13(11)3)9-18-10-17(6,7)8/h9H,10H2,1-8H3/b18-9+.
What are the key properties of N-(2,2-dimethylpropyl)-1-(2,3,4,5,6-pentamethylphenyl)methanimine?
N-(2,2-dimethylpropyl)-1-(2,3,4,5,6-pentamethylphenyl)methanimine has a molecular weight of 245.41 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1-(2,3,4,5,6-pentamethylphenyl)methanimine is sourced from PubChem (CID 23252216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).