N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine

C11H16N2O — CID 62288081

IUPACN-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine
SMILESC=CCOc1ccnc(CNCC)c1
InChIInChI=1S/C11H16N2O/c1-3-7-14-11-5-6-13-10(8-11)9-12-4-2/h3,5-6,8,12H,1,4,7,9H2,2H3
InChIKeyVLGOXEYUNMDMHB-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.76
Rot. Bonds6

About N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine

N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine (PubChem CID 62288081) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine
PubChem CID62288081
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine
SMILESC=CCOc1ccnc(CNCC)c1
InChIInChI=1S/C11H16N2O/c1-3-7-14-11-5-6-13-10(8-11)9-12-4-2/h3,5-6,8,12H,1,4,7,9H2,2H3
InChIKeyVLGOXEYUNMDMHB-UHFFFAOYSA-N
XLogP1.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine (CID 62288081) is N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine is C=CCOc1ccnc(CNCC)c1.
What is the InChIKey of N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine?
The InChIKey is VLGOXEYUNMDMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-7-14-11-5-6-13-10(8-11)9-12-4-2/h3,5-6,8,12H,1,4,7,9H2,2H3.
What are the key properties of N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine?
N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine has a molecular weight of 192.26 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-prop-2-enoxy-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 62288081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).