4-tert-butyl-N,1-dimethylpyridin-2-imine

C11H18N2 — CID 59485522

IUPAC4-tert-butyl-N,1-dimethylpyridin-2-imine
SMILESC/N=c1\cc(C(C)(C)C)ccn1C
InChIInChI=1S/C11H18N2/c1-11(2,3)9-6-7-13(5)10(8-9)12-4/h6-8H,1-5H3/b12-10+
InChIKeyTZCFTXRIWZPPJD-ZRDIBKRKSA-N
MW178.28 g/mol
LogP1.85
Rot. Bonds

About 4-tert-butyl-N,1-dimethylpyridin-2-imine

4-tert-butyl-N,1-dimethylpyridin-2-imine (PubChem CID 59485522) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-tert-butyl-N,1-dimethylpyridin-2-imine.

Molecular Properties

Compound Name4-tert-butyl-N,1-dimethylpyridin-2-imine
PubChem CID59485522
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-tert-butyl-N,1-dimethylpyridin-2-imine
SMILESC/N=c1\cc(C(C)(C)C)ccn1C
InChIInChI=1S/C11H18N2/c1-11(2,3)9-6-7-13(5)10(8-9)12-4/h6-8H,1-5H3/b12-10+
InChIKeyTZCFTXRIWZPPJD-ZRDIBKRKSA-N
XLogP1.85
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,1-dimethylpyridin-2-imine?
The IUPAC name of 4-tert-butyl-N,1-dimethylpyridin-2-imine (CID 59485522) is 4-tert-butyl-N,1-dimethylpyridin-2-imine.
What is the SMILES notation for 4-tert-butyl-N,1-dimethylpyridin-2-imine?
The canonical SMILES for 4-tert-butyl-N,1-dimethylpyridin-2-imine is C/N=c1\cc(C(C)(C)C)ccn1C.
What is the InChIKey of 4-tert-butyl-N,1-dimethylpyridin-2-imine?
The InChIKey is TZCFTXRIWZPPJD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2,3)9-6-7-13(5)10(8-9)12-4/h6-8H,1-5H3/b12-10+.
What are the key properties of 4-tert-butyl-N,1-dimethylpyridin-2-imine?
4-tert-butyl-N,1-dimethylpyridin-2-imine has a molecular weight of 178.28 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,1-dimethylpyridin-2-imine is sourced from PubChem (CID 59485522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).