6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine

C12H18N2O — CID 80872267

IUPAC6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine
SMILESC/C=C/COc1cccc(NCCC)n1
InChIInChI=1S/C12H18N2O/c1-3-5-10-15-12-8-6-7-11(14-12)13-9-4-2/h3,5-8H,4,9-10H2,1-2H3,(H,13,14)/b5-3+
InChIKeyUDLJQLYGXKXSAJ-HWKANZROSA-N
MW206.29 g/mol
LogP2.86
Rot. Bonds6

About 6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine

6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine (PubChem CID 80872267) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine
PubChem CID80872267
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine
SMILESC/C=C/COc1cccc(NCCC)n1
InChIInChI=1S/C12H18N2O/c1-3-5-10-15-12-8-6-7-11(14-12)13-9-4-2/h3,5-8H,4,9-10H2,1-2H3,(H,13,14)/b5-3+
InChIKeyUDLJQLYGXKXSAJ-HWKANZROSA-N
XLogP2.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-prop-2-enoxy-N-propylpyridin-2-amine
CID 80868454
6-(3-methylbutoxy)-N-propylpyridin-2-amine
CID 80859395
N-propyl-6-prop-2-ynoxypyridin-2-amine
CID 80861470
6-[(2-methylpropan-2-yl)oxy]-N-propylpyridin-2-amine
CID 80861017
6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 80871017
6-(2-propan-2-yloxyethoxy)-N-propylpyridin-2-amine
CID 80860049
1-(6-but-2-enoxy-2-pyridinyl)-N-methylmethanamine
CID 76938374
N-(2-chloroethyl)-6-ethoxypyridin-2-amine
CID 65029665
6-butoxy-N-ethylpyridin-2-amine
CID 80867318
N-propyl-6-quinolin-8-yloxypyridin-2-amine
CID 80874687
6-(3-methylphenoxy)-N-propylpyridin-2-amine
CID 80869779
N-[(6-but-2-enoxy-2-pyridinyl)methyl]propan-2-amine
CID 76938376

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine?
The IUPAC name of 6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine (CID 80872267) is 6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine?
The canonical SMILES for 6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine is C/C=C/COc1cccc(NCCC)n1.
What is the InChIKey of 6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine?
The InChIKey is UDLJQLYGXKXSAJ-HWKANZROSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-5-10-15-12-8-6-7-11(14-12)13-9-4-2/h3,5-8H,4,9-10H2,1-2H3,(H,13,14)/b5-3+.
What are the key properties of 6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine?
6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine has a molecular weight of 206.29 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-2-enoxy]-N-propylpyridin-2-amine is sourced from PubChem (CID 80872267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).