1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile

C14H18N2 — CID 130233903

IUPAC1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile
SMILESCC(C)(C)c1ccc(C2(C#N)CCC2)nc1
InChIInChI=1S/C14H18N2/c1-13(2,3)11-5-6-12(16-9-11)14(10-15)7-4-8-14/h5-6,9H,4,7-8H2,1-3H3
InChIKeyVXBDKRWFWSYPOK-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.32
Rot. Bonds1

About 1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile

1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile (PubChem CID 130233903) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile
PubChem CID130233903
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile
SMILESCC(C)(C)c1ccc(C2(C#N)CCC2)nc1
InChIInChI=1S/C14H18N2/c1-13(2,3)11-5-6-12(16-9-11)14(10-15)7-4-8-14/h5-6,9H,4,7-8H2,1-3H3
InChIKeyVXBDKRWFWSYPOK-UHFFFAOYSA-N
XLogP3.32
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile (CID 130233903) is 1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile is CC(C)(C)c1ccc(C2(C#N)CCC2)nc1.
What is the InChIKey of 1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile?
The InChIKey is VXBDKRWFWSYPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-13(2,3)11-5-6-12(16-9-11)14(10-15)7-4-8-14/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile?
1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile has a molecular weight of 214.31 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-pyridinyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 130233903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).