5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline

C16H23N — CID 138536124

IUPAC5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
SMILESC=CCN1CCc2c(ccc(C(C)C)c2C)C1
InChIInChI=1S/C16H23N/c1-5-9-17-10-8-16-13(4)15(12(2)3)7-6-14(16)11-17/h5-7,12H,1,8-11H2,2-4H3
InChIKeyHJPRNUQATOUUAA-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.66
Rot. Bonds3

About 5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline

5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline (PubChem CID 138536124) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
PubChem CID138536124
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
SMILESC=CCN1CCc2c(ccc(C(C)C)c2C)C1
InChIInChI=1S/C16H23N/c1-5-9-17-10-8-16-13(4)15(12(2)3)7-6-14(16)11-17/h5-7,12H,1,8-11H2,2-4H3
InChIKeyHJPRNUQATOUUAA-UHFFFAOYSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline 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 5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline (CID 138536124) is 5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline is C=CCN1CCc2c(ccc(C(C)C)c2C)C1.
What is the InChIKey of 5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is HJPRNUQATOUUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-5-9-17-10-8-16-13(4)15(12(2)3)7-6-14(16)11-17/h5-7,12H,1,8-11H2,2-4H3.
What are the key properties of 5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline?
5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 229.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propan-2-yl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 138536124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).