4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline

C15H23N — CID 166899335

IUPAC4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline
SMILESCc1ccc2c(c1)CN(C(C)C)CC2(C)C
InChIInChI=1S/C15H23N/c1-11(2)16-9-13-8-12(3)6-7-14(13)15(4,5)10-16/h6-8,11H,9-10H2,1-5H3
InChIKeyAGLYCBMAOSULGE-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.50
Rot. Bonds1

About 4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline

4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline (PubChem CID 166899335) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline.

Molecular Properties

Compound Name4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline
PubChem CID166899335
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline
SMILESCc1ccc2c(c1)CN(C(C)C)CC2(C)C
InChIInChI=1S/C15H23N/c1-11(2)16-9-13-8-12(3)6-7-14(13)15(4,5)10-16/h6-8,11H,9-10H2,1-5H3
InChIKeyAGLYCBMAOSULGE-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline 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 4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline?
The IUPAC name of 4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline (CID 166899335) is 4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline.
What is the SMILES notation for 4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline?
The canonical SMILES for 4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline is Cc1ccc2c(c1)CN(C(C)C)CC2(C)C.
What is the InChIKey of 4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline?
The InChIKey is AGLYCBMAOSULGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)16-9-13-8-12(3)6-7-14(13)15(4,5)10-16/h6-8,11H,9-10H2,1-5H3.
What are the key properties of 4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline?
4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline has a molecular weight of 217.36 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7-trimethyl-2-propan-2-yl-1,3-dihydroisoquinoline is sourced from PubChem (CID 166899335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).