1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole

C16H23N — CID 84736095

IUPAC1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole
SMILESCc1ccc2c(c1)C(C1CCCCCC1)NC2
InChIInChI=1S/C16H23N/c1-12-8-9-14-11-17-16(15(14)10-12)13-6-4-2-3-5-7-13/h8-10,13,16-17H,2-7,11H2,1H3
InChIKeyWTPOYPCBTQCGIS-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.11
Rot. Bonds1

About 1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole

1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole (PubChem CID 84736095) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole
PubChem CID84736095
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole
SMILESCc1ccc2c(c1)C(C1CCCCCC1)NC2
InChIInChI=1S/C16H23N/c1-12-8-9-14-11-17-16(15(14)10-12)13-6-4-2-3-5-7-13/h8-10,13,16-17H,2-7,11H2,1H3
InChIKeyWTPOYPCBTQCGIS-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole 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

1-cyclopentyl-5-methyl-2,3-dihydro-1H-isoindole
CID 84733856
(9bS)-8-methyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 70658369
6-methyl-2,3-dihydro-1H-isoindol-1-amine
CID 20773265
[(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130741067
1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole
CID 84735923
6,8-dimethyl-1,2,3,4,5,6-hexahydro-2-benzazocine
CID 163872656
7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 67537734
(5R)-5-cyclohexyl-3-[(2,5-dimethylphenyl)methyl]imidazolidine-2,4-dione
CID 2662586
2-(6-methyl-2,3-dihydro-1H-isoindol-1-yl)-2-oxoacetaldehyde
CID 174734512
(6aS,12bR)-2-methyl-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol
CID 57340488
1-cyclobutyl-7-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 141010496
ethane;4-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 123326497

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole (CID 84736095) is 1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole is Cc1ccc2c(c1)C(C1CCCCCC1)NC2.
What is the InChIKey of 1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole?
The InChIKey is WTPOYPCBTQCGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12-8-9-14-11-17-16(15(14)10-12)13-6-4-2-3-5-7-13/h8-10,13,16-17H,2-7,11H2,1H3.
What are the key properties of 1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole?
1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole has a molecular weight of 229.37 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84736095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).