3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile

C13H20N4 — CID 80810300

IUPAC3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile
SMILESCCNc1cccc(N(CCC#N)C(C)C)n1
InChIInChI=1S/C13H20N4/c1-4-15-12-7-5-8-13(16-12)17(11(2)3)10-6-9-14/h5,7-8,11H,4,6,10H2,1-3H3,(H,15,16)
InChIKeyVYIKSBVPAYVTSY-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.64
Rot. Bonds6

About 3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile

3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile (PubChem CID 80810300) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile
PubChem CID80810300
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile
SMILESCCNc1cccc(N(CCC#N)C(C)C)n1
InChIInChI=1S/C13H20N4/c1-4-15-12-7-5-8-13(16-12)17(11(2)3)10-6-9-14/h5,7-8,11H,4,6,10H2,1-3H3,(H,15,16)
InChIKeyVYIKSBVPAYVTSY-UHFFFAOYSA-N
XLogP2.64
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile (CID 80810300) is 3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile is CCNc1cccc(N(CCC#N)C(C)C)n1.
What is the InChIKey of 3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile?
The InChIKey is VYIKSBVPAYVTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-15-12-7-5-8-13(16-12)17(11(2)3)10-6-9-14/h5,7-8,11H,4,6,10H2,1-3H3,(H,15,16).
What are the key properties of 3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile?
3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile has a molecular weight of 232.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-2-pyridinyl]-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 80810300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).