1-(5-indol-1-ylpentyl)indole

C21H22N2 — CID 45269293

IUPAC1-(5-indol-1-ylpentyl)indole
SMILESc1ccc2c(c1)ccn2CCCCCn1ccc2ccccc21
InChIInChI=1S/C21H22N2/c1(6-14-22-16-12-18-8-2-4-10-20(18)22)7-15-23-17-13-19-9-3-5-11-21(19)23/h2-5,8-13,16-17H,1,6-7,14-15H2
InChIKeyYYJZJNRCWKBQFQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.47
Rot. Bonds6

About 1-(5-indol-1-ylpentyl)indole

1-(5-indol-1-ylpentyl)indole (PubChem CID 45269293) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(5-indol-1-ylpentyl)indole.

Molecular Properties

Compound Name1-(5-indol-1-ylpentyl)indole
PubChem CID45269293
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name1-(5-indol-1-ylpentyl)indole
SMILESc1ccc2c(c1)ccn2CCCCCn1ccc2ccccc21
InChIInChI=1S/C21H22N2/c1(6-14-22-16-12-18-8-2-4-10-20(18)22)7-15-23-17-13-19-9-3-5-11-21(19)23/h2-5,8-13,16-17H,1,6-7,14-15H2
InChIKeyYYJZJNRCWKBQFQ-UHFFFAOYSA-N
XLogP5.47
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Latrepirdine
CID 197033
Iprindole
CID 21722
N,N-Diethyltryptamine
CID 6090
Mebhydrolin
CID 22530
Ethanone, 1-(1H-indol-1-yl)-
CID 68470
Besipirdine
CID 60691
1-Methyl-1H-indole-3-ethylamine
CID 23492
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579

Frequently Asked Questions

What is the IUPAC name of 1-(5-indol-1-ylpentyl)indole?
The IUPAC name of 1-(5-indol-1-ylpentyl)indole (CID 45269293) is 1-(5-indol-1-ylpentyl)indole.
What is the SMILES notation for 1-(5-indol-1-ylpentyl)indole?
The canonical SMILES for 1-(5-indol-1-ylpentyl)indole is c1ccc2c(c1)ccn2CCCCCn1ccc2ccccc21.
What is the InChIKey of 1-(5-indol-1-ylpentyl)indole?
The InChIKey is YYJZJNRCWKBQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1(6-14-22-16-12-18-8-2-4-10-20(18)22)7-15-23-17-13-19-9-3-5-11-21(19)23/h2-5,8-13,16-17H,1,6-7,14-15H2.
What are the key properties of 1-(5-indol-1-ylpentyl)indole?
1-(5-indol-1-ylpentyl)indole has a molecular weight of 302.42 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-indol-1-ylpentyl)indole is sourced from PubChem (CID 45269293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).