4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile

C15H23N3O — CID 79151514

IUPAC4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile
SMILESCCNCc1nc(C)ccc1OCCC(C)(C)C#N
InChIInChI=1S/C15H23N3O/c1-5-17-10-13-14(7-6-12(2)18-13)19-9-8-15(3,4)11-16/h6-7,17H,5,8-10H2,1-4H3
InChIKeyAALHPOKTLBYVJO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.82
Rot. Bonds7

About 4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile

4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile (PubChem CID 79151514) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile
PubChem CID79151514
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile
SMILESCCNCc1nc(C)ccc1OCCC(C)(C)C#N
InChIInChI=1S/C15H23N3O/c1-5-17-10-13-14(7-6-12(2)18-13)19-9-8-15(3,4)11-16/h6-7,17H,5,8-10H2,1-4H3
InChIKeyAALHPOKTLBYVJO-UHFFFAOYSA-N
XLogP2.82
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(cyclopropylamino)methyl]-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile
CID 79156387
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]ethanamine
CID 79151520
N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 79157323
3-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79150504
N-[[6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 79151286
N-[[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150991
4-[2-(ethylaminomethyl)-6-methylphenoxy]-2,2-dimethylbutanenitrile
CID 112609120
6-[2-(ethylaminomethyl)-4-methylphenoxy]-2,2-dimethylhexanenitrile
CID 106708824
ethyl 2-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]acetate
CID 79151521
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151204
2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
CID 79150529
N-[[6-methyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]-2-pyridinyl]methyl]ethanamine
CID 107911121

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile (CID 79151514) is 4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile is CCNCc1nc(C)ccc1OCCC(C)(C)C#N.
What is the InChIKey of 4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile?
The InChIKey is AALHPOKTLBYVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-5-17-10-13-14(7-6-12(2)18-13)19-9-8-15(3,4)11-16/h6-7,17H,5,8-10H2,1-4H3.
What are the key properties of 4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile?
4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile has a molecular weight of 261.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylaminomethyl)-6-methyl-3-pyridinyl]oxy]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 79151514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).