7-(4-methylpentyl)-1H-indole

C14H19N — CID 177208716

IUPAC7-(4-methylpentyl)-1H-indole
SMILESCC(C)CCCc1cccc2cc[nH]c12
InChIInChI=1S/C14H19N/c1-11(2)5-3-6-12-7-4-8-13-9-10-15-14(12)13/h4,7-11,15H,3,5-6H2,1-2H3
InChIKeyXRDMKVXQYJHBPW-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.15
Rot. Bonds4

About 7-(4-methylpentyl)-1H-indole

7-(4-methylpentyl)-1H-indole (PubChem CID 177208716) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 7-(4-methylpentyl)-1H-indole.

Molecular Properties

Compound Name7-(4-methylpentyl)-1H-indole
PubChem CID177208716
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name7-(4-methylpentyl)-1H-indole
SMILESCC(C)CCCc1cccc2cc[nH]c12
InChIInChI=1S/C14H19N/c1-11(2)5-3-6-12-7-4-8-13-9-10-15-14(12)13/h4,7-11,15H,3,5-6H2,1-2H3
InChIKeyXRDMKVXQYJHBPW-UHFFFAOYSA-N
XLogP4.15
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682
2-(1H-indol-7-yl)ethanol
CID 22556873
7-(2-isocyanoethyl)-1H-indole
CID 83481079
5-tert-butyl-7-(3-methylbutyl)-1H-indole
CID 166958045
7-(2,2-dimethylpropyl)-1H-indole
CID 69029945
(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
CID 96903920
3-(1H-indol-7-yl)propanenitrile;propanenitrile
CID 157211357
3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol
CID 103701053
N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine
CID 113234819
2-[2-(1H-indol-7-yl)ethyl-methylamino]ethanol
CID 20729409
2-[2-(1H-indol-7-yl)ethylamino]ethanol
CID 22556872
2,6-bis(6-methylheptyl)phenol
CID 14252215

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpentyl)-1H-indole?
The IUPAC name of 7-(4-methylpentyl)-1H-indole (CID 177208716) is 7-(4-methylpentyl)-1H-indole.
What is the SMILES notation for 7-(4-methylpentyl)-1H-indole?
The canonical SMILES for 7-(4-methylpentyl)-1H-indole is CC(C)CCCc1cccc2cc[nH]c12.
What is the InChIKey of 7-(4-methylpentyl)-1H-indole?
The InChIKey is XRDMKVXQYJHBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-11(2)5-3-6-12-7-4-8-13-9-10-15-14(12)13/h4,7-11,15H,3,5-6H2,1-2H3.
What are the key properties of 7-(4-methylpentyl)-1H-indole?
7-(4-methylpentyl)-1H-indole has a molecular weight of 201.31 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpentyl)-1H-indole is sourced from PubChem (CID 177208716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).