N-tert-butyl-1-(2-methylphenyl)methanimine

C12H17N — CID 10866848

IUPACN-tert-butyl-1-(2-methylphenyl)methanimine
SMILESCc1ccccc1/C=N/C(C)(C)C
InChIInChI=1S/C12H17N/c1-10-7-5-6-8-11(10)9-13-12(2,3)4/h5-9H,1-4H3/b13-9+
InChIKeyFSTJSZALCOAPRT-UKTHLTGXSA-N
MW175.27 g/mol
LogP3.21
Rot. Bonds1

About N-tert-butyl-1-(2-methylphenyl)methanimine

N-tert-butyl-1-(2-methylphenyl)methanimine (PubChem CID 10866848) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-tert-butyl-1-(2-methylphenyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(2-methylphenyl)methanimine
PubChem CID10866848
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-tert-butyl-1-(2-methylphenyl)methanimine
SMILESCc1ccccc1/C=N/C(C)(C)C
InChIInChI=1S/C12H17N/c1-10-7-5-6-8-11(10)9-13-12(2,3)4/h5-9H,1-4H3/b13-9+
InChIKeyFSTJSZALCOAPRT-UKTHLTGXSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.21
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-methylphenyl)methanimine?
The IUPAC name of N-tert-butyl-1-(2-methylphenyl)methanimine (CID 10866848) is N-tert-butyl-1-(2-methylphenyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(2-methylphenyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(2-methylphenyl)methanimine is Cc1ccccc1/C=N/C(C)(C)C.
What is the InChIKey of N-tert-butyl-1-(2-methylphenyl)methanimine?
The InChIKey is FSTJSZALCOAPRT-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17N/c1-10-7-5-6-8-11(10)9-13-12(2,3)4/h5-9H,1-4H3/b13-9+.
What are the key properties of N-tert-butyl-1-(2-methylphenyl)methanimine?
N-tert-butyl-1-(2-methylphenyl)methanimine has a molecular weight of 175.27 g/mol, XLogP of 3.21, 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-methylphenyl)methanimine is sourced from PubChem (CID 10866848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).