cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium

C18H27N2+ — CID 6935303

IUPACcyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium
SMILESc1ccc2c(CC[NH2+]C3CCCCCCC3)c[nH]c2c1
InChIInChI=1S/C18H26N2/c1-2-4-8-16(9-5-3-1)19-13-12-15-14-20-18-11-7-6-10-17(15)18/h6-7,10-11,14,16,19-20H,1-5,8-9,12-13H2/p+1
InChIKeyGGLPSVYDFTWWMV-UHFFFAOYSA-O
MW271.43 g/mol
LogP3.39
Rot. Bonds4

About cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium

cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium (PubChem CID 6935303) has the molecular formula C18H27N2+ and a molecular weight of 271.43 g/mol. Its IUPAC name is cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium.

Molecular Properties

Compound Namecyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium
PubChem CID6935303
Molecular FormulaC18H27N2+
Molecular Weight271.43 g/mol
Exact Mass271.22
IUPAC Namecyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium
SMILESc1ccc2c(CC[NH2+]C3CCCCCCC3)c[nH]c2c1
InChIInChI=1S/C18H26N2/c1-2-4-8-16(9-5-3-1)19-13-12-15-14-20-18-11-7-6-10-17(15)18/h6-7,10-11,14,16,19-20H,1-5,8-9,12-13H2/p+1
InChIKeyGGLPSVYDFTWWMV-UHFFFAOYSA-O
XLogP3.39
TPSA32.40 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-(1H-indol-3-yl)ethyl-[(1R,3R)-3-methylcyclohexyl]azanium
CID 7445932
2-(1H-indol-3-yl)ethyl-(4-phenylcyclohexyl)azanium
CID 6983297
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
1-cyclopentyl-2-(1H-indol-3-yl)ethanone
CID 126509630
2-(1H-indol-3-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632947
N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
CID 68709397
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017170
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium?
The IUPAC name of cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium (CID 6935303) is cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium.
What is the SMILES notation for cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium?
The canonical SMILES for cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium is c1ccc2c(CC[NH2+]C3CCCCCCC3)c[nH]c2c1.
What is the InChIKey of cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium?
The InChIKey is GGLPSVYDFTWWMV-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H26N2/c1-2-4-8-16(9-5-3-1)19-13-12-15-14-20-18-11-7-6-10-17(15)18/h6-7,10-11,14,16,19-20H,1-5,8-9,12-13H2/p+1.
What are the key properties of cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium?
cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium has a molecular weight of 271.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[2-(1H-indol-3-yl)ethyl]azanium is sourced from PubChem (CID 6935303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).