2-tert-butyl-1-methylperimidine

C16H18N2 — CID 14043356

IUPAC2-tert-butyl-1-methylperimidine
SMILESCN1C(C(C)(C)C)=Nc2cccc3cccc1c23
InChIInChI=1S/C16H18N2/c1-16(2,3)15-17-12-9-5-7-11-8-6-10-13(14(11)12)18(15)4/h5-10H,1-4H3
InChIKeyVARGETFXOKFXHD-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.37
Rot. Bonds

About 2-tert-butyl-1-methylperimidine

2-tert-butyl-1-methylperimidine (PubChem CID 14043356) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-tert-butyl-1-methylperimidine.

Molecular Properties

Compound Name2-tert-butyl-1-methylperimidine
PubChem CID14043356
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-tert-butyl-1-methylperimidine
SMILESCN1C(C(C)(C)C)=Nc2cccc3cccc1c23
InChIInChI=1S/C16H18N2/c1-16(2,3)15-17-12-9-5-7-11-8-6-10-13(14(11)12)18(15)4/h5-10H,1-4H3
InChIKeyVARGETFXOKFXHD-UHFFFAOYSA-N
XLogP4.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-methylperimidine?
The IUPAC name of 2-tert-butyl-1-methylperimidine (CID 14043356) is 2-tert-butyl-1-methylperimidine.
What is the SMILES notation for 2-tert-butyl-1-methylperimidine?
The canonical SMILES for 2-tert-butyl-1-methylperimidine is CN1C(C(C)(C)C)=Nc2cccc3cccc1c23.
What is the InChIKey of 2-tert-butyl-1-methylperimidine?
The InChIKey is VARGETFXOKFXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-16(2,3)15-17-12-9-5-7-11-8-6-10-13(14(11)12)18(15)4/h5-10H,1-4H3.
What are the key properties of 2-tert-butyl-1-methylperimidine?
2-tert-butyl-1-methylperimidine has a molecular weight of 238.33 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-methylperimidine is sourced from PubChem (CID 14043356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).