3-(4,4-dimethylpentyl)-1H-indole

C15H21N — CID 58756842

IUPAC3-(4,4-dimethylpentyl)-1H-indole
SMILESCC(C)(C)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N/c1-15(2,3)10-6-7-12-11-16-14-9-5-4-8-13(12)14/h4-5,8-9,11,16H,6-7,10H2,1-3H3
InChIKeyFHYVQNICNHNYFC-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.54
Rot. Bonds3

About 3-(4,4-dimethylpentyl)-1H-indole

3-(4,4-dimethylpentyl)-1H-indole (PubChem CID 58756842) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(4,4-dimethylpentyl)-1H-indole.

Molecular Properties

Compound Name3-(4,4-dimethylpentyl)-1H-indole
PubChem CID58756842
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-(4,4-dimethylpentyl)-1H-indole
SMILESCC(C)(C)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N/c1-15(2,3)10-6-7-12-11-16-14-9-5-4-8-13(12)14/h4-5,8-9,11,16H,6-7,10H2,1-3H3
InChIKeyFHYVQNICNHNYFC-UHFFFAOYSA-N
XLogP4.54
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-heptyl-1H-indole
CID 15360907
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
dimethyl 2-[3-(1H-indol-3-yl)propyl]-2-iodopropanedioate
CID 146165215
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
3-(2,2-dimethylhexyl)-1H-indole
CID 70819800
2-(3,3-dimethylbutylamino)-4-(1H-indol-3-yl)butanoic acid
CID 174620908
4-(1H-indol-3-yl)butanamide
CID 588715
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
N-(2-hydroxy-2-methylpropyl)-4-(1H-indol-3-yl)-N-methylbutanamide
CID 79270948

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpentyl)-1H-indole?
The IUPAC name of 3-(4,4-dimethylpentyl)-1H-indole (CID 58756842) is 3-(4,4-dimethylpentyl)-1H-indole.
What is the SMILES notation for 3-(4,4-dimethylpentyl)-1H-indole?
The canonical SMILES for 3-(4,4-dimethylpentyl)-1H-indole is CC(C)(C)CCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(4,4-dimethylpentyl)-1H-indole?
The InChIKey is FHYVQNICNHNYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-15(2,3)10-6-7-12-11-16-14-9-5-4-8-13(12)14/h4-5,8-9,11,16H,6-7,10H2,1-3H3.
What are the key properties of 3-(4,4-dimethylpentyl)-1H-indole?
3-(4,4-dimethylpentyl)-1H-indole has a molecular weight of 215.34 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpentyl)-1H-indole is sourced from PubChem (CID 58756842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).