1-tert-butylpyridin-2-imine

C9H14N2 — CID 58097190

IUPAC1-tert-butylpyridin-2-imine
SMILES[H]/N=c1\ccccn1C(C)(C)C
InChIInChI=1S/C9H14N2/c1-9(2,3)11-7-5-4-6-8(11)10/h4-7,10H,1-3H3/b10-8+
InChIKeyANXGHKIFENNOCM-CSKARUKUSA-N
MW150.22 g/mol
LogP1.72
Rot. Bonds

About 1-tert-butylpyridin-2-imine

1-tert-butylpyridin-2-imine (PubChem CID 58097190) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-tert-butylpyridin-2-imine.

Molecular Properties

Compound Name1-tert-butylpyridin-2-imine
PubChem CID58097190
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-tert-butylpyridin-2-imine
SMILES[H]/N=c1\ccccn1C(C)(C)C
InChIInChI=1S/C9H14N2/c1-9(2,3)11-7-5-4-6-8(11)10/h4-7,10H,1-3H3/b10-8+
InChIKeyANXGHKIFENNOCM-CSKARUKUSA-N
XLogP1.72
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyridin-2-imine?
The IUPAC name of 1-tert-butylpyridin-2-imine (CID 58097190) is 1-tert-butylpyridin-2-imine.
What is the SMILES notation for 1-tert-butylpyridin-2-imine?
The canonical SMILES for 1-tert-butylpyridin-2-imine is [H]/N=c1\ccccn1C(C)(C)C.
What is the InChIKey of 1-tert-butylpyridin-2-imine?
The InChIKey is ANXGHKIFENNOCM-CSKARUKUSA-N. The full InChI is InChI=1S/C9H14N2/c1-9(2,3)11-7-5-4-6-8(11)10/h4-7,10H,1-3H3/b10-8+.
What are the key properties of 1-tert-butylpyridin-2-imine?
1-tert-butylpyridin-2-imine has a molecular weight of 150.22 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyridin-2-imine is sourced from PubChem (CID 58097190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).