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

C14H21N — CID 62373433

IUPAC7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCC1NCCc2ccc(CC)cc21
InChIInChI=1S/C14H21N/c1-3-5-14-13-10-11(4-2)6-7-12(13)8-9-15-14/h6-7,10,14-15H,3-5,8-9H2,1-2H3
InChIKeyFKMFLXUYAYQUHZ-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.24
Rot. Bonds3

About 7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline

7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62373433) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID62373433
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCC1NCCc2ccc(CC)cc21
InChIInChI=1S/C14H21N/c1-3-5-14-13-10-11(4-2)6-7-12(13)8-9-15-14/h6-7,10,14-15H,3-5,8-9H2,1-2H3
InChIKeyFKMFLXUYAYQUHZ-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline (CID 62373433) is 7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline is CCCC1NCCc2ccc(CC)cc21.
What is the InChIKey of 7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FKMFLXUYAYQUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-5-14-13-10-11(4-2)6-7-12(13)8-9-15-14/h6-7,10,14-15H,3-5,8-9H2,1-2H3.
What are the key properties of 7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline?
7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 203.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-propyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62373433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).