3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine

C18H24N2 — CID 154927047

IUPAC3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine
SMILESC=CC1=NC(CC(=C)NC)C(CCC)c2ccccc21
InChIInChI=1S/C18H24N2/c1-5-9-15-14-10-7-8-11-16(14)17(6-2)20-18(15)12-13(3)19-4/h6-8,10-11,15,18-19H,2-3,5,9,12H2,1,4H3
InChIKeyKRNJLDVLZRLAMR-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.05
Rot. Bonds6

About 3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine

3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine (PubChem CID 154927047) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine
PubChem CID154927047
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine
SMILESC=CC1=NC(CC(=C)NC)C(CCC)c2ccccc21
InChIInChI=1S/C18H24N2/c1-5-9-15-14-10-7-8-11-16(14)17(6-2)20-18(15)12-13(3)19-4/h6-8,10-11,15,18-19H,2-3,5,9,12H2,1,4H3
InChIKeyKRNJLDVLZRLAMR-UHFFFAOYSA-N
XLogP4.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine?
The IUPAC name of 3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine (CID 154927047) is 3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine.
What is the SMILES notation for 3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine?
The canonical SMILES for 3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine is C=CC1=NC(CC(=C)NC)C(CCC)c2ccccc21.
What is the InChIKey of 3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine?
The InChIKey is KRNJLDVLZRLAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-5-9-15-14-10-7-8-11-16(14)17(6-2)20-18(15)12-13(3)19-4/h6-8,10-11,15,18-19H,2-3,5,9,12H2,1,4H3.
What are the key properties of 3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine?
3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine has a molecular weight of 268.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethenyl-4-propyl-3,4-dihydroisoquinolin-3-yl)-N-methylprop-1-en-2-amine is sourced from PubChem (CID 154927047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).