N-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine

C12H18N2O — CID 81254967

IUPACN-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine
SMILESC=CCOc1cc(C)ncc1CNCC
InChIInChI=1S/C12H18N2O/c1-4-6-15-12-7-10(3)14-9-11(12)8-13-5-2/h4,7,9,13H,1,5-6,8H2,2-3H3
InChIKeySPSVOMMJUPVMPL-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.06
Rot. Bonds6

About N-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine

N-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine (PubChem CID 81254967) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine
PubChem CID81254967
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine
SMILESC=CCOc1cc(C)ncc1CNCC
InChIInChI=1S/C12H18N2O/c1-4-6-15-12-7-10(3)14-9-11(12)8-13-5-2/h4,7,9,13H,1,5-6,8H2,2-3H3
InChIKeySPSVOMMJUPVMPL-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine (CID 81254967) is N-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine is C=CCOc1cc(C)ncc1CNCC.
What is the InChIKey of N-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine?
The InChIKey is SPSVOMMJUPVMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-6-15-12-7-10(3)14-9-11(12)8-13-5-2/h4,7,9,13H,1,5-6,8H2,2-3H3.
What are the key properties of N-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine?
N-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine has a molecular weight of 206.29 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-4-prop-2-enoxy-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 81254967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).