2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile

C13H19N3O — CID 79795412

IUPAC2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile
SMILESCCC(N)Cc1ccc(OC(C#N)CC)cn1
InChIInChI=1S/C13H19N3O/c1-3-10(15)7-11-5-6-13(9-16-11)17-12(4-2)8-14/h5-6,9-10,12H,3-4,7,15H2,1-2H3
InChIKeyMWHJWOKXVQIYSA-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.04
Rot. Bonds6

About 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile

2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile (PubChem CID 79795412) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile.

Molecular Properties

Compound Name2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile
PubChem CID79795412
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile
SMILESCCC(N)Cc1ccc(OC(C#N)CC)cn1
InChIInChI=1S/C13H19N3O/c1-3-10(15)7-11-5-6-13(9-16-11)17-12(4-2)8-14/h5-6,9-10,12H,3-4,7,15H2,1-2H3
InChIKeyMWHJWOKXVQIYSA-UHFFFAOYSA-N
XLogP2.04
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(bromomethyl)-3-pyridinyl]oxy]butanenitrile
CID 79799481
1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine
CID 114012794
1-(5-propoxy-2-pyridinyl)butan-2-amine
CID 79795245
1-(5-butoxy-2-pyridinyl)butan-2-amine
CID 79796005
1-[5-(cyclobutylmethoxy)-2-pyridinyl]butan-2-amine
CID 79795847
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79795923
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
CID 79795171
1-[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]butan-2-amine
CID 79795763
1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine
CID 79799813
1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine
CID 79795841
1-[5-(2-cyclopropylethoxy)-2-pyridinyl]butan-2-amine
CID 79795250
1-[5-(oxan-4-ylmethoxy)-2-pyridinyl]butan-2-amine
CID 79796421

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile?
The IUPAC name of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile (CID 79795412) is 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile.
What is the SMILES notation for 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile?
The canonical SMILES for 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile is CCC(N)Cc1ccc(OC(C#N)CC)cn1.
What is the InChIKey of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile?
The InChIKey is MWHJWOKXVQIYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-10(15)7-11-5-6-13(9-16-11)17-12(4-2)8-14/h5-6,9-10,12H,3-4,7,15H2,1-2H3.
What are the key properties of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile?
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile has a molecular weight of 233.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile is sourced from PubChem (CID 79795412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).