(E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine

C12H18N2O — CID 103348775

IUPAC(E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine
SMILESCCNC/C(C)=C/c1cccc(OC)n1
InChIInChI=1S/C12H18N2O/c1-4-13-9-10(2)8-11-6-5-7-12(14-11)15-3/h5-8,13H,4,9H2,1-3H3/b10-8+
InChIKeyOIJVTNCHBRKPPF-CSKARUKUSA-N
MW206.29 g/mol
LogP2.10
Rot. Bonds5

About (E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine

(E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine (PubChem CID 103348775) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine
PubChem CID103348775
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine
SMILESCCNC/C(C)=C/c1cccc(OC)n1
InChIInChI=1S/C12H18N2O/c1-4-13-9-10(2)8-11-6-5-7-12(14-11)15-3/h5-8,13H,4,9H2,1-3H3/b10-8+
InChIKeyOIJVTNCHBRKPPF-CSKARUKUSA-N
XLogP2.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine?
The IUPAC name of (E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine (CID 103348775) is (E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for (E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine is CCNC/C(C)=C/c1cccc(OC)n1.
What is the InChIKey of (E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine?
The InChIKey is OIJVTNCHBRKPPF-CSKARUKUSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-13-9-10(2)8-11-6-5-7-12(14-11)15-3/h5-8,13H,4,9H2,1-3H3/b10-8+.
What are the key properties of (E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine?
(E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine has a molecular weight of 206.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(6-methoxy-2-pyridinyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 103348775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).