4,5-dimethyl-3-pentyl-1H-indole

C15H21N — CID 168931300

IUPAC4,5-dimethyl-3-pentyl-1H-indole
SMILESCCCCCc1c[nH]c2ccc(C)c(C)c12
InChIInChI=1S/C15H21N/c1-4-5-6-7-13-10-16-14-9-8-11(2)12(3)15(13)14/h8-10,16H,4-7H2,1-3H3
InChIKeyJSQDVXZDSYIHLD-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.52
Rot. Bonds4

About 4,5-dimethyl-3-pentyl-1H-indole

4,5-dimethyl-3-pentyl-1H-indole (PubChem CID 168931300) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 4,5-dimethyl-3-pentyl-1H-indole.

Molecular Properties

Compound Name4,5-dimethyl-3-pentyl-1H-indole
PubChem CID168931300
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name4,5-dimethyl-3-pentyl-1H-indole
SMILESCCCCCc1c[nH]c2ccc(C)c(C)c12
InChIInChI=1S/C15H21N/c1-4-5-6-7-13-10-16-14-9-8-11(2)12(3)15(13)14/h8-10,16H,4-7H2,1-3H3
InChIKeyJSQDVXZDSYIHLD-UHFFFAOYSA-N
XLogP4.52
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1,2-dimethyl-4-octylbenzene
CID 14044616
2,3-dimethyl-1,4-dipentylbenzene
CID 54478491
azane;1-decyl-2,3-dimethylbenzene;hydrate
CID 174675361
4-ethyl-2-hexyl-1-methylbenzene
CID 54443410
2-(4-fluoro-5-methyl-1H-indol-3-yl)ethanamine
CID 15274380
3-[2-(dodecylamino)ethyl]-1H-indol-4-ol
CID 167346455
2-methyl-3-pentadecyl-1H-pyrrole
CID 173176418
2-methyl-3-tetracosyl-1H-pyrrole
CID 173176335
4-hexyl-2,3-dimethyl-1H-indole
CID 101334969

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-pentyl-1H-indole?
The IUPAC name of 4,5-dimethyl-3-pentyl-1H-indole (CID 168931300) is 4,5-dimethyl-3-pentyl-1H-indole.
What is the SMILES notation for 4,5-dimethyl-3-pentyl-1H-indole?
The canonical SMILES for 4,5-dimethyl-3-pentyl-1H-indole is CCCCCc1c[nH]c2ccc(C)c(C)c12.
What is the InChIKey of 4,5-dimethyl-3-pentyl-1H-indole?
The InChIKey is JSQDVXZDSYIHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-4-5-6-7-13-10-16-14-9-8-11(2)12(3)15(13)14/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 4,5-dimethyl-3-pentyl-1H-indole?
4,5-dimethyl-3-pentyl-1H-indole has a molecular weight of 215.34 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-pentyl-1H-indole is sourced from PubChem (CID 168931300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).