5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole

C18H27N — CID 4218293

IUPAC5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole
SMILESCCCCc1ccc2c(c1)CC(C1CCCCC1)N2
InChIInChI=1S/C18H27N/c1-2-3-7-14-10-11-17-16(12-14)13-18(19-17)15-8-5-4-6-9-15/h10-12,15,18-19H,2-9,13H2,1H3
InChIKeyYYVPBRHSZKYOSS-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.95
Rot. Bonds4

About 5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole

5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole (PubChem CID 4218293) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole
PubChem CID4218293
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole
SMILESCCCCc1ccc2c(c1)CC(C1CCCCC1)N2
InChIInChI=1S/C18H27N/c1-2-3-7-14-10-11-17-16(12-14)13-18(19-17)15-8-5-4-6-9-15/h10-12,15,18-19H,2-9,13H2,1H3
InChIKeyYYVPBRHSZKYOSS-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole 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-butyl-2-cyclohexyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole (CID 4218293) is 5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole is CCCCc1ccc2c(c1)CC(C1CCCCC1)N2.
What is the InChIKey of 5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole?
The InChIKey is YYVPBRHSZKYOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-2-3-7-14-10-11-17-16(12-14)13-18(19-17)15-8-5-4-6-9-15/h10-12,15,18-19H,2-9,13H2,1H3.
What are the key properties of 5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole?
5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole has a molecular weight of 257.42 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-cyclohexyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 4218293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).