2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine

C22H26N4 — CID 91500206

IUPAC2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine
SMILESC=C(C)c1ncnc2ncn(CC)c12.CC1=C(C)Cc2ccccc2C1
InChIInChI=1S/C12H14.C10H12N4/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-4-14-6-13-10-9(14)8(7(2)3)11-5-12-10/h3-6H,7-8H2,1-2H3;5-6H,2,4H2,1,3H3
InChIKeyRHJOQAXAGIZSTB-UHFFFAOYSA-N
MW346.48 g/mol
LogP5.00
Rot. Bonds2

About 2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine

2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine (PubChem CID 91500206) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine.

Molecular Properties

Compound Name2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine
PubChem CID91500206
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine
SMILESC=C(C)c1ncnc2ncn(CC)c12.CC1=C(C)Cc2ccccc2C1
InChIInChI=1S/C12H14.C10H12N4/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-4-14-6-13-10-9(14)8(7(2)3)11-5-12-10/h3-6H,7-8H2,1-2H3;5-6H,2,4H2,1,3H3
InChIKeyRHJOQAXAGIZSTB-UHFFFAOYSA-N
XLogP5.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine?
The IUPAC name of 2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine (CID 91500206) is 2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine.
What is the SMILES notation for 2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine?
The canonical SMILES for 2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine is C=C(C)c1ncnc2ncn(CC)c12.CC1=C(C)Cc2ccccc2C1.
What is the InChIKey of 2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine?
The InChIKey is RHJOQAXAGIZSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C10H12N4/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;1-4-14-6-13-10-9(14)8(7(2)3)11-5-12-10/h3-6H,7-8H2,1-2H3;5-6H,2,4H2,1,3H3.
What are the key properties of 2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine?
2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine has a molecular weight of 346.48 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-dihydronaphthalene;7-ethyl-6-prop-1-en-2-ylpurine is sourced from PubChem (CID 91500206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).