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

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Related Compounds

5-butyl-2,3-dihydro-1H-indol-2-ol
CID 141157926
5-butyl-2-(2-methoxyphenyl)-2,3-dihydro-1H-indole
CID 3984067
2-cyclopentyl-6-ethyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165476679
2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole
CID 58200603
5-butyl-2-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 4014810
3,8-di(nonyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 170778877
5-butyl-1,3-dihydroindol-2-one
CID 10219749
(3aS,4S,9bS)-4-cyclohexyl-8-pentyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 71655613
5-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 70571795
(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014495
7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 63514769
1-butyl-4-(1-chloro-3-cyclohexylpropyl)benzene
CID 63431518

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).