N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine

C12H18N2O — CID 62289501

IUPACN-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine
SMILESC=CCCOc1cccc(CNCC)n1
InChIInChI=1S/C12H18N2O/c1-3-5-9-15-12-8-6-7-11(14-12)10-13-4-2/h3,6-8,13H,1,4-5,9-10H2,2H3
InChIKeyCONIQRUJGBEMKP-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.15
Rot. Bonds7

About N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine

N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine (PubChem CID 62289501) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine
PubChem CID62289501
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine
SMILESC=CCCOc1cccc(CNCC)n1
InChIInChI=1S/C12H18N2O/c1-3-5-9-15-12-8-6-7-11(14-12)10-13-4-2/h3,6-8,13H,1,4-5,9-10H2,2H3
InChIKeyCONIQRUJGBEMKP-UHFFFAOYSA-N
XLogP2.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine (CID 62289501) is N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine is C=CCCOc1cccc(CNCC)n1.
What is the InChIKey of N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine?
The InChIKey is CONIQRUJGBEMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-5-9-15-12-8-6-7-11(14-12)10-13-4-2/h3,6-8,13H,1,4-5,9-10H2,2H3.
What are the key properties of N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine?
N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine has a molecular weight of 206.29 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-but-3-enoxy-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 62289501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).