1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline

C24H29N — CID 134249844

IUPAC1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline
SMILESCC=CC1(C2CC=CC=C2c2nccc3c2=CCC(C)C=3)C(C)C1C
InChIInChI=1S/C24H29N/c1-5-13-24(17(3)18(24)4)22-9-7-6-8-21(22)23-20-11-10-16(2)15-19(20)12-14-25-23/h5-8,11-18,22H,9-10H2,1-4H3
InChIKeyCQAGJQCSRSKPBI-UHFFFAOYSA-N
MW331.50 g/mol
LogP4.49
Rot. Bonds3

About 1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline

1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline (PubChem CID 134249844) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline.

Molecular Properties

Compound Name1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline
PubChem CID134249844
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC Name1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline
SMILESCC=CC1(C2CC=CC=C2c2nccc3c2=CCC(C)C=3)C(C)C1C
InChIInChI=1S/C24H29N/c1-5-13-24(17(3)18(24)4)22-9-7-6-8-21(22)23-20-11-10-16(2)15-19(20)12-14-25-23/h5-8,11-18,22H,9-10H2,1-4H3
InChIKeyCQAGJQCSRSKPBI-UHFFFAOYSA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-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 1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline?
The IUPAC name of 1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline (CID 134249844) is 1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline.
What is the SMILES notation for 1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline?
The canonical SMILES for 1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline is CC=CC1(C2CC=CC=C2c2nccc3c2=CCC(C)C=3)C(C)C1C.
What is the InChIKey of 1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline?
The InChIKey is CQAGJQCSRSKPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N/c1-5-13-24(17(3)18(24)4)22-9-7-6-8-21(22)23-20-11-10-16(2)15-19(20)12-14-25-23/h5-8,11-18,22H,9-10H2,1-4H3.
What are the key properties of 1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline?
1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline has a molecular weight of 331.50 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3-dimethyl-1-prop-1-enylcyclopropyl)cyclohexa-1,3-dien-1-yl]-6-methyl-6,7-dihydroisoquinoline is sourced from PubChem (CID 134249844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).