6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline

C13H17N — CID 168889822

IUPAC6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc2c(cc1C1CC1)CCNC2
InChIInChI=1S/C13H17N/c1-9-6-12-8-14-5-4-11(12)7-13(9)10-2-3-10/h6-7,10,14H,2-5,8H2,1H3
InChIKeyUMLBVIPYOALBAH-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.52
Rot. Bonds1

About 6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline

6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 168889822) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID168889822
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc2c(cc1C1CC1)CCNC2
InChIInChI=1S/C13H17N/c1-9-6-12-8-14-5-4-11(12)7-13(9)10-2-3-10/h6-7,10,14H,2-5,8H2,1H3
InChIKeyUMLBVIPYOALBAH-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 168889770
ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145372798
ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 166464794
6-(methoxymethyl)-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 169125392
6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 144980703
4-(4,5-dichloro-2-methylphenyl)piperidine
CID 84802563
4-(4-bromo-2,5-dimethylphenyl)piperidine
CID 84808321
5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline
CID 137470478
6-methyl-7-pentan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 144980713
1-(3-cyclopropyl-4-methylphenyl)piperazin-2-one
CID 155722107
2-chloro-4-methyl-5-piperidin-4-ylphenol
CID 84790670
(6-chloro-1,2,3,4-tetrahydroisoquinolin-7-yl)oxy-trimethylsilane
CID 167733189

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline (CID 168889822) is 6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline is Cc1cc2c(cc1C1CC1)CCNC2.
What is the InChIKey of 6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UMLBVIPYOALBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9-6-12-8-14-5-4-11(12)7-13(9)10-2-3-10/h6-7,10,14H,2-5,8H2,1H3.
What are the key properties of 6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline?
6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 187.29 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-7-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 168889822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).