N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine

C17H21N3O — CID 107381579

IUPACN-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(OC/C=C/c2ccccc2)cn1
InChIInChI=1S/C17H21N3O/c1-14(2)18-11-16-12-20-17(13-19-16)21-10-6-9-15-7-4-3-5-8-15/h3-9,12-14,18H,10-11H2,1-2H3/b9-6+
InChIKeyRWEMAYBFCRBNME-RMKNXTFCSA-N
MW283.38 g/mol
LogP3.07
Rot. Bonds7

About N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine

N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 107381579) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine
PubChem CID107381579
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(OC/C=C/c2ccccc2)cn1
InChIInChI=1S/C17H21N3O/c1-14(2)18-11-16-12-20-17(13-19-16)21-10-6-9-15-7-4-3-5-8-15/h3-9,12-14,18H,10-11H2,1-2H3/b9-6+
InChIKeyRWEMAYBFCRBNME-RMKNXTFCSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine (CID 107381579) is N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cnc(OC/C=C/c2ccccc2)cn1.
What is the InChIKey of N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is RWEMAYBFCRBNME-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14(2)18-11-16-12-20-17(13-19-16)21-10-6-9-15-7-4-3-5-8-15/h3-9,12-14,18H,10-11H2,1-2H3/b9-6+.
What are the key properties of N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine?
N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 283.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107381579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).