6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile

C13H20N4 — CID 79661111

IUPAC6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile
SMILESCCN(CC(C)(C)CN)c1cccc(C#N)n1
InChIInChI=1S/C13H20N4/c1-4-17(10-13(2,3)9-15)12-7-5-6-11(8-14)16-12/h5-7H,4,9-10,15H2,1-3H3
InChIKeyXLXPYCBXEUFWLO-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.76
Rot. Bonds5

About 6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile

6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile (PubChem CID 79661111) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile
PubChem CID79661111
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile
SMILESCCN(CC(C)(C)CN)c1cccc(C#N)n1
InChIInChI=1S/C13H20N4/c1-4-17(10-13(2,3)9-15)12-7-5-6-11(8-14)16-12/h5-7H,4,9-10,15H2,1-3H3
InChIKeyXLXPYCBXEUFWLO-UHFFFAOYSA-N
XLogP1.76
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile (CID 79661111) is 6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile is CCN(CC(C)(C)CN)c1cccc(C#N)n1.
What is the InChIKey of 6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile?
The InChIKey is XLXPYCBXEUFWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-17(10-13(2,3)9-15)12-7-5-6-11(8-14)16-12/h5-7H,4,9-10,15H2,1-3H3.
What are the key properties of 6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile?
6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-2,2-dimethylpropyl)-ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 79661111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).