N-tert-butyl-2-methanimidoylaniline

C11H16N2 — CID 170341484

IUPACN-tert-butyl-2-methanimidoylaniline
SMILES[H]/N=C/c1ccccc1NC(C)(C)C
InChIInChI=1S/C11H16N2/c1-11(2,3)13-10-7-5-4-6-9(10)8-12/h4-8,12-13H,1-3H3/b12-8+
InChIKeyWSDAQFGDPDTTIH-XYOKQWHBSA-N
MW176.26 g/mol
LogP2.89
Rot. Bonds2

About N-tert-butyl-2-methanimidoylaniline

N-tert-butyl-2-methanimidoylaniline (PubChem CID 170341484) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-tert-butyl-2-methanimidoylaniline.

Molecular Properties

Compound NameN-tert-butyl-2-methanimidoylaniline
PubChem CID170341484
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-tert-butyl-2-methanimidoylaniline
SMILES[H]/N=C/c1ccccc1NC(C)(C)C
InChIInChI=1S/C11H16N2/c1-11(2,3)13-10-7-5-4-6-9(10)8-12/h4-8,12-13H,1-3H3/b12-8+
InChIKeyWSDAQFGDPDTTIH-XYOKQWHBSA-N
XLogP2.89
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
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-tert-butyl-2-methanimidoylaniline?
The IUPAC name of N-tert-butyl-2-methanimidoylaniline (CID 170341484) is N-tert-butyl-2-methanimidoylaniline.
What is the SMILES notation for N-tert-butyl-2-methanimidoylaniline?
The canonical SMILES for N-tert-butyl-2-methanimidoylaniline is [H]/N=C/c1ccccc1NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methanimidoylaniline?
The InChIKey is WSDAQFGDPDTTIH-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(2,3)13-10-7-5-4-6-9(10)8-12/h4-8,12-13H,1-3H3/b12-8+.
What are the key properties of N-tert-butyl-2-methanimidoylaniline?
N-tert-butyl-2-methanimidoylaniline has a molecular weight of 176.26 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methanimidoylaniline is sourced from PubChem (CID 170341484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).