1-butyl-4-tert-butylpyridin-2-imine

C13H22N2 — CID 66643290

IUPAC1-butyl-4-tert-butylpyridin-2-imine
SMILES[H]/N=c1\cc(C(C)(C)C)ccn1CCCC
InChIInChI=1S/C13H22N2/c1-5-6-8-15-9-7-11(10-12(15)14)13(2,3)4/h7,9-10,14H,5-6,8H2,1-4H3/b14-12+
InChIKeyZVDKDIBSUIDFBM-WYMLVPIESA-N
MW206.33 g/mol
LogP3.07
Rot. Bonds3

About 1-butyl-4-tert-butylpyridin-2-imine

1-butyl-4-tert-butylpyridin-2-imine (PubChem CID 66643290) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-butyl-4-tert-butylpyridin-2-imine.

Molecular Properties

Compound Name1-butyl-4-tert-butylpyridin-2-imine
PubChem CID66643290
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-butyl-4-tert-butylpyridin-2-imine
SMILES[H]/N=c1\cc(C(C)(C)C)ccn1CCCC
InChIInChI=1S/C13H22N2/c1-5-6-8-15-9-7-11(10-12(15)14)13(2,3)4/h7,9-10,14H,5-6,8H2,1-4H3/b14-12+
InChIKeyZVDKDIBSUIDFBM-WYMLVPIESA-N
XLogP3.07
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-tert-butylpyridin-2-imine?
The IUPAC name of 1-butyl-4-tert-butylpyridin-2-imine (CID 66643290) is 1-butyl-4-tert-butylpyridin-2-imine.
What is the SMILES notation for 1-butyl-4-tert-butylpyridin-2-imine?
The canonical SMILES for 1-butyl-4-tert-butylpyridin-2-imine is [H]/N=c1\cc(C(C)(C)C)ccn1CCCC.
What is the InChIKey of 1-butyl-4-tert-butylpyridin-2-imine?
The InChIKey is ZVDKDIBSUIDFBM-WYMLVPIESA-N. The full InChI is InChI=1S/C13H22N2/c1-5-6-8-15-9-7-11(10-12(15)14)13(2,3)4/h7,9-10,14H,5-6,8H2,1-4H3/b14-12+.
What are the key properties of 1-butyl-4-tert-butylpyridin-2-imine?
1-butyl-4-tert-butylpyridin-2-imine has a molecular weight of 206.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-tert-butylpyridin-2-imine is sourced from PubChem (CID 66643290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).