1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole

C19H33N — CID 130349241

IUPAC1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
SMILESC1CCC(C2CCC(C3NCC4CCCCC43)C2)CC1
InChIInChI=1S/C19H33N/c1-2-6-14(7-3-1)15-10-11-16(12-15)19-18-9-5-4-8-17(18)13-20-19/h14-20H,1-13H2
InChIKeyMODMFUNAWXKBPA-UHFFFAOYSA-N
MW275.48 g/mol
LogP4.76
Rot. Bonds2

About 1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole

1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole (PubChem CID 130349241) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole.

Molecular Properties

Compound Name1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
PubChem CID130349241
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
SMILESC1CCC(C2CCC(C3NCC4CCCCC43)C2)CC1
InChIInChI=1S/C19H33N/c1-2-6-14(7-3-1)15-10-11-16(12-15)19-18-9-5-4-8-17(18)13-20-19/h14-20H,1-13H2
InChIKeyMODMFUNAWXKBPA-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
The IUPAC name of 1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole (CID 130349241) is 1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole.
What is the SMILES notation for 1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
The canonical SMILES for 1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole is C1CCC(C2CCC(C3NCC4CCCCC43)C2)CC1.
What is the InChIKey of 1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
The InChIKey is MODMFUNAWXKBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-2-6-14(7-3-1)15-10-11-16(12-15)19-18-9-5-4-8-17(18)13-20-19/h14-20H,1-13H2.
What are the key properties of 1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole has a molecular weight of 275.48 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole is sourced from PubChem (CID 130349241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).