5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole

C16H20BrN — CID 106985642

IUPAC5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole
SMILESCC1(C)CCCCC1c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H20BrN/c1-16(2)8-4-3-5-14(16)13-10-18-15-7-6-11(17)9-12(13)15/h6-7,9-10,14,18H,3-5,8H2,1-2H3
InChIKeyUPNCIUIJWADSPQ-UHFFFAOYSA-N
MW306.25 g/mol
LogP5.61
Rot. Bonds1

About 5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole

5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole (PubChem CID 106985642) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is 5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole
PubChem CID106985642
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC Name5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole
SMILESCC1(C)CCCCC1c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C16H20BrN/c1-16(2)8-4-3-5-14(16)13-10-18-15-7-6-11(17)9-12(13)15/h6-7,9-10,14,18H,3-5,8H2,1-2H3
InChIKeyUPNCIUIJWADSPQ-UHFFFAOYSA-N
XLogP5.61
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.25
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 5-bromo-3-(2,2-dimethylcyclohexyl)-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

Related Compounds

(5-bromo-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176382
5-bromo-3-cyclopropyl-1H-indole
CID 103863095
5-bromo-3-(1-methylpiperidin-4-yl)-1H-indole
CID 15745344
(6-bromo-1H-indol-3-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176496
5-bromo-3-[(3R)-pyrrolidin-3-yl]-1H-indole
CID 95432462
5-bromo-3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 15326275
5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole
CID 123956330
5-bromo-3-(cyclobutylmethyl)-1H-indole
CID 106985526
(3S,6S)-3,6-bis(5-bromo-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
CID 1238850
(5-bromo-1H-indol-3-yl)-cyclopentylmethanone
CID 43162090
(5-bromo-1H-indol-3-yl)-cycloheptylmethanone
CID 63491644
N-[(6R)-6-(5-bromo-1H-indol-3-yl)-1,4,5,6-tetrahydropyrimidin-2-yl]acetamide
CID 163047954

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole?
The IUPAC name of 5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole (CID 106985642) is 5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole?
The canonical SMILES for 5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole is CC1(C)CCCCC1c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole?
The InChIKey is UPNCIUIJWADSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN/c1-16(2)8-4-3-5-14(16)13-10-18-15-7-6-11(17)9-12(13)15/h6-7,9-10,14,18H,3-5,8H2,1-2H3.
What are the key properties of 5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole?
5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole has a molecular weight of 306.25 g/mol, XLogP of 5.61, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,2-dimethylcyclohexyl)-1H-indole is sourced from PubChem (CID 106985642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).