2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile

C13H20N4 — CID 113283263

IUPAC2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile
SMILESCCC(N)(CC)CNc1nccc(C)c1C#N
InChIInChI=1S/C13H20N4/c1-4-13(15,5-2)9-17-12-11(8-14)10(3)6-7-16-12/h6-7H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyRDMPTVGIHNTFLS-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.19
Rot. Bonds5

About 2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile

2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile (PubChem CID 113283263) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile
PubChem CID113283263
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile
SMILESCCC(N)(CC)CNc1nccc(C)c1C#N
InChIInChI=1S/C13H20N4/c1-4-13(15,5-2)9-17-12-11(8-14)10(3)6-7-16-12/h6-7H,4-5,9,15H2,1-3H3,(H,16,17)
InChIKeyRDMPTVGIHNTFLS-UHFFFAOYSA-N
XLogP2.19
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile (CID 113283263) is 2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile is CCC(N)(CC)CNc1nccc(C)c1C#N.
What is the InChIKey of 2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile?
The InChIKey is RDMPTVGIHNTFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-13(15,5-2)9-17-12-11(8-14)10(3)6-7-16-12/h6-7H,4-5,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile?
2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 113283263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).