3-heptyl-1H-indole

C15H21N — CID 15360907

IUPAC3-heptyl-1H-indole
SMILESCCCCCCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N/c1-2-3-4-5-6-9-13-12-16-15-11-8-7-10-14(13)15/h7-8,10-12,16H,2-6,9H2,1H3
InChIKeyCFJQBDPPZCIGHK-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.68
Rot. Bonds6

About 3-heptyl-1H-indole

3-heptyl-1H-indole (PubChem CID 15360907) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-heptyl-1H-indole.

Molecular Properties

Compound Name3-heptyl-1H-indole
PubChem CID15360907
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name3-heptyl-1H-indole
SMILESCCCCCCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N/c1-2-3-4-5-6-9-13-12-16-15-11-8-7-10-14(13)15/h7-8,10-12,16H,2-6,9H2,1H3
InChIKeyCFJQBDPPZCIGHK-UHFFFAOYSA-N
XLogP4.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.68
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

3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-pentylguanidine
CID 111753236
3-(4,4-dimethylpentyl)-1H-indole
CID 58756842
3-(octacosoxymethyl)-1H-indole
CID 11512197
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
pentyl 3-(1H-indol-3-yl)propanoate
CID 70811312
1-(1H-indol-3-yl)hexan-3-one
CID 166814803
3-(2,2-dimethylhexyl)-1H-indole
CID 70819800
3-(2-ethyloctyl)-1H-indole
CID 126495753

Frequently Asked Questions

What is the IUPAC name of 3-heptyl-1H-indole?
The IUPAC name of 3-heptyl-1H-indole (CID 15360907) is 3-heptyl-1H-indole.
What is the SMILES notation for 3-heptyl-1H-indole?
The canonical SMILES for 3-heptyl-1H-indole is CCCCCCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-heptyl-1H-indole?
The InChIKey is CFJQBDPPZCIGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-3-4-5-6-9-13-12-16-15-11-8-7-10-14(13)15/h7-8,10-12,16H,2-6,9H2,1H3.
What are the key properties of 3-heptyl-1H-indole?
3-heptyl-1H-indole has a molecular weight of 215.34 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptyl-1H-indole is sourced from PubChem (CID 15360907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).