4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

C13H19N — CID 82125524

IUPAC4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1CNCc2cc(C)cc(C)c21
InChIInChI=1S/C13H19N/c1-4-11-7-14-8-12-6-9(2)5-10(3)13(11)12/h5-6,11,14H,4,7-8H2,1-3H3
InChIKeyNMOBXGDHDSHXDJ-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.90
Rot. Bonds1

About 4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82125524) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID82125524
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1CNCc2cc(C)cc(C)c21
InChIInChI=1S/C13H19N/c1-4-11-7-14-8-12-6-9(2)5-10(3)13(11)12/h5-6,11,14H,4,7-8H2,1-3H3
InChIKeyNMOBXGDHDSHXDJ-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 82125524) is 4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline is CCC1CNCc2cc(C)cc(C)c21.
What is the InChIKey of 4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NMOBXGDHDSHXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-4-11-7-14-8-12-6-9(2)5-10(3)13(11)12/h5-6,11,14H,4,7-8H2,1-3H3.
What are the key properties of 4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline?
4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 189.30 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5,7-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82125524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).