4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline

C14H21N — CID 64689178

IUPAC4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCC1NCC(CC)c2ccccc21
InChIInChI=1S/C14H21N/c1-3-7-14-13-9-6-5-8-12(13)11(4-2)10-15-14/h5-6,8-9,11,14-15H,3-4,7,10H2,1-2H3
InChIKeyWVXBRQIXPZDJGY-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.62
Rot. Bonds3

About 4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline

4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64689178) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID64689178
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCC1NCC(CC)c2ccccc21
InChIInChI=1S/C14H21N/c1-3-7-14-13-9-6-5-8-12(13)11(4-2)10-15-14/h5-6,8-9,11,14-15H,3-4,7,10H2,1-2H3
InChIKeyWVXBRQIXPZDJGY-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline (CID 64689178) is 4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline is CCCC1NCC(CC)c2ccccc21.
What is the InChIKey of 4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WVXBRQIXPZDJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-7-14-13-9-6-5-8-12(13)11(4-2)10-15-14/h5-6,8-9,11,14-15H,3-4,7,10H2,1-2H3.
What are the key properties of 4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline?
4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 203.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64689178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).