2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile

C15H24N4 — CID 83122014

IUPAC2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
SMILESCCCNC(C)c1ccc(N(C)CC(C)C#N)cn1
InChIInChI=1S/C15H24N4/c1-5-8-17-13(3)15-7-6-14(10-18-15)19(4)11-12(2)9-16/h6-7,10,12-13,17H,5,8,11H2,1-4H3
InChIKeyKLOLKKLDVSHPBO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.74
Rot. Bonds7

About 2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile

2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile (PubChem CID 83122014) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
PubChem CID83122014
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile
SMILESCCCNC(C)c1ccc(N(C)CC(C)C#N)cn1
InChIInChI=1S/C15H24N4/c1-5-8-17-13(3)15-7-6-14(10-18-15)19(4)11-12(2)9-16/h6-7,10,12-13,17H,5,8,11H2,1-4H3
InChIKeyKLOLKKLDVSHPBO-UHFFFAOYSA-N
XLogP2.74
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile?
The IUPAC name of 2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile (CID 83122014) is 2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile is CCCNC(C)c1ccc(N(C)CC(C)C#N)cn1.
What is the InChIKey of 2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile?
The InChIKey is KLOLKKLDVSHPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-5-8-17-13(3)15-7-6-14(10-18-15)19(4)11-12(2)9-16/h6-7,10,12-13,17H,5,8,11H2,1-4H3.
What are the key properties of 2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile?
2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile has a molecular weight of 260.38 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[6-[1-(propylamino)ethyl]-3-pyridinyl]amino]propanenitrile is sourced from PubChem (CID 83122014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).