1,4-ditert-butylpyridin-2-imine

C13H22N2 — CID 59116553

IUPAC1,4-ditert-butylpyridin-2-imine
SMILES[H]/N=c1\cc(C(C)(C)C)ccn1C(C)(C)C
InChIInChI=1S/C13H22N2/c1-12(2,3)10-7-8-15(11(14)9-10)13(4,5)6/h7-9,14H,1-6H3/b14-11+
InChIKeyZTDLDDUKKQAWTL-SDNWHVSQSA-N
MW206.33 g/mol
LogP3.02
Rot. Bonds

About 1,4-ditert-butylpyridin-2-imine

1,4-ditert-butylpyridin-2-imine (PubChem CID 59116553) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1,4-ditert-butylpyridin-2-imine.

Molecular Properties

Compound Name1,4-ditert-butylpyridin-2-imine
PubChem CID59116553
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1,4-ditert-butylpyridin-2-imine
SMILES[H]/N=c1\cc(C(C)(C)C)ccn1C(C)(C)C
InChIInChI=1S/C13H22N2/c1-12(2,3)10-7-8-15(11(14)9-10)13(4,5)6/h7-9,14H,1-6H3/b14-11+
InChIKeyZTDLDDUKKQAWTL-SDNWHVSQSA-N
XLogP3.02
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Fluoro-2-methylbut-3-en-2-yl)-4-methylpyridin-2-imine
CID 154965437
4-tert-butyl-N,1-dimethylpyridin-2-imine
CID 59485522
1-Butyl-5-tert-butylpyridin-2-imine
CID 66643174
4-Tert-butyl-1-butylpyridin-2(1h)-imine
CID 66643290
5-Ethyl-1-methanimidoylpyridin-2-imine
CID 68338821
1-Ethanimidoyl-5-methylpyridin-2-imine
CID 129033488
6-[(1Z)-buta-1,3-dienyl]-5-methyl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 132099128
1-[(2E)-2-heptan-2-ylidene-1-pyridinyl]ethanimine
CID 143109268
1-[(1E,4E,8Z)-2,3,3,6,6-pentamethyl-7-methylideneundeca-1,4,8,10-tetraenyl]pyridin-2-imine
CID 143288207
1-[(E)-but-2-en-2-yl]-5-methylpyridin-2-imine;ethane
CID 143424286
1-Methanimidoyl-4-propan-2-ylpyridin-2-imine
CID 145187981
Ethane;5-ethyl-1-methanimidoylpyridin-2-imine
CID 145188459

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylpyridin-2-imine?
The IUPAC name of 1,4-ditert-butylpyridin-2-imine (CID 59116553) is 1,4-ditert-butylpyridin-2-imine.
What is the SMILES notation for 1,4-ditert-butylpyridin-2-imine?
The canonical SMILES for 1,4-ditert-butylpyridin-2-imine is [H]/N=c1\cc(C(C)(C)C)ccn1C(C)(C)C.
What is the InChIKey of 1,4-ditert-butylpyridin-2-imine?
The InChIKey is ZTDLDDUKKQAWTL-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H22N2/c1-12(2,3)10-7-8-15(11(14)9-10)13(4,5)6/h7-9,14H,1-6H3/b14-11+.
What are the key properties of 1,4-ditert-butylpyridin-2-imine?
1,4-ditert-butylpyridin-2-imine has a molecular weight of 206.33 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylpyridin-2-imine is sourced from PubChem (CID 59116553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).