1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine

C17H22N2 — CID 167249655

IUPAC1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine
SMILESC=CC1=NC(C(=C)NC)C(CCC)c2ccccc21
InChIInChI=1S/C17H22N2/c1-5-9-15-13-10-7-8-11-14(13)16(6-2)19-17(15)12(3)18-4/h6-8,10-11,15,17-18H,2-3,5,9H2,1,4H3
InChIKeyGQUIMHIWJOCMJZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.66
Rot. Bonds5

About 1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine

1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine (PubChem CID 167249655) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine.

Molecular Properties

Compound Name1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine
PubChem CID167249655
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine
SMILESC=CC1=NC(C(=C)NC)C(CCC)c2ccccc21
InChIInChI=1S/C17H22N2/c1-5-9-15-13-10-7-8-11-14(13)16(6-2)19-17(15)12(3)18-4/h6-8,10-11,15,17-18H,2-3,5,9H2,1,4H3
InChIKeyGQUIMHIWJOCMJZ-UHFFFAOYSA-N
XLogP3.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine?
The IUPAC name of 1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine (CID 167249655) is 1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine.
What is the SMILES notation for 1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine?
The canonical SMILES for 1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine is C=CC1=NC(C(=C)NC)C(CCC)c2ccccc21.
What is the InChIKey of 1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine?
The InChIKey is GQUIMHIWJOCMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-5-9-15-13-10-7-8-11-14(13)16(6-2)19-17(15)12(3)18-4/h6-8,10-11,15,17-18H,2-3,5,9H2,1,4H3.
What are the key properties of 1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine?
1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine has a molecular weight of 254.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylethenamine is sourced from PubChem (CID 167249655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).