3-(2,4-dimethyl-2-propyloctyl)-1H-indole

C21H33N — CID 67807643

IUPAC3-(2,4-dimethyl-2-propyloctyl)-1H-indole
SMILESCCCCC(C)CC(C)(CCC)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H33N/c1-5-7-10-17(3)14-21(4,13-6-2)15-18-16-22-20-12-9-8-11-19(18)20/h8-9,11-12,16-17,22H,5-7,10,13-15H2,1-4H3
InChIKeyDNMUXOGQOPXYEK-UHFFFAOYSA-N
MW299.50 g/mol
LogP6.73
Rot. Bonds9

About 3-(2,4-dimethyl-2-propyloctyl)-1H-indole

3-(2,4-dimethyl-2-propyloctyl)-1H-indole (PubChem CID 67807643) has the molecular formula C21H33N and a molecular weight of 299.50 g/mol. Its IUPAC name is 3-(2,4-dimethyl-2-propyloctyl)-1H-indole.

Molecular Properties

Compound Name3-(2,4-dimethyl-2-propyloctyl)-1H-indole
PubChem CID67807643
Molecular FormulaC21H33N
Molecular Weight299.50 g/mol
Exact Mass299.26
IUPAC Name3-(2,4-dimethyl-2-propyloctyl)-1H-indole
SMILESCCCCC(C)CC(C)(CCC)Cc1c[nH]c2ccccc12
InChIInChI=1S/C21H33N/c1-5-7-10-17(3)14-21(4,13-6-2)15-18-16-22-20-12-9-8-11-19(18)20/h8-9,11-12,16-17,22H,5-7,10,13-15H2,1-4H3
InChIKeyDNMUXOGQOPXYEK-UHFFFAOYSA-N
XLogP6.73
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-(2,2-dimethylhexyl)-1H-indole
CID 70819800
3-heptyl-1H-indole
CID 15360907
(7S)-5,7-dimethyl-5-propylundecane
CID 175363506
3-[1,1-bis(1H-indol-3-yl)butyl]-1H-indole
CID 20847832
3-(2-ethyloctyl)-1H-indole
CID 126495753
N-[1-(1H-indol-3-yl)propan-2-yl]-N-methylbutan-1-amine
CID 166038734
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide
CID 113086286
2-amino-2-(1H-indol-3-ylmethyl)octanoic acid;dihydrochloride
CID 174428555
3-(4,4-dimethylpentyl)-1H-indole
CID 58756842
2-amino-3-(1H-indol-3-yl)propanoic acid;tetrabutylphosphanium
CID 174977427
1-N-[2-(1H-indol-3-yl)ethyl]hexane-1,2-diamine
CID 83960679
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol
CID 70500153

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-2-propyloctyl)-1H-indole?
The IUPAC name of 3-(2,4-dimethyl-2-propyloctyl)-1H-indole (CID 67807643) is 3-(2,4-dimethyl-2-propyloctyl)-1H-indole.
What is the SMILES notation for 3-(2,4-dimethyl-2-propyloctyl)-1H-indole?
The canonical SMILES for 3-(2,4-dimethyl-2-propyloctyl)-1H-indole is CCCCC(C)CC(C)(CCC)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(2,4-dimethyl-2-propyloctyl)-1H-indole?
The InChIKey is DNMUXOGQOPXYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N/c1-5-7-10-17(3)14-21(4,13-6-2)15-18-16-22-20-12-9-8-11-19(18)20/h8-9,11-12,16-17,22H,5-7,10,13-15H2,1-4H3.
What are the key properties of 3-(2,4-dimethyl-2-propyloctyl)-1H-indole?
3-(2,4-dimethyl-2-propyloctyl)-1H-indole has a molecular weight of 299.50 g/mol, XLogP of 6.73, 9 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-2-propyloctyl)-1H-indole is sourced from PubChem (CID 67807643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).