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

C13H19N — CID 83970537

IUPAC3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1Cc2ccc(C)cc2C(C)N1
InChIInChI=1S/C13H19N/c1-4-12-8-11-6-5-9(2)7-13(11)10(3)14-12/h5-7,10,12,14H,4,8H2,1-3H3
InChIKeyXNPNJDTUBOGLNP-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.98
Rot. Bonds1

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

3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83970537) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID83970537
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1Cc2ccc(C)cc2C(C)N1
InChIInChI=1S/C13H19N/c1-4-12-8-11-6-5-9(2)7-13(11)10(3)14-12/h5-7,10,12,14H,4,8H2,1-3H3
InChIKeyXNPNJDTUBOGLNP-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 83970537) is 3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline is CCC1Cc2ccc(C)cc2C(C)N1.
What is the InChIKey of 3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XNPNJDTUBOGLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-12-8-11-6-5-9(2)7-13(11)10(3)14-12/h5-7,10,12,14H,4,8H2,1-3H3.
What are the key properties of 3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 189.30 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,7-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83970537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).