3-(1-methylnaphthalen-2-yl)-1-pentylindole

C24H25N — CID 166792359

IUPAC3-(1-methylnaphthalen-2-yl)-1-pentylindole
SMILESCCCCCn1cc(-c2ccc3ccccc3c2C)c2ccccc21
InChIInChI=1S/C24H25N/c1-3-4-9-16-25-17-23(22-12-7-8-13-24(22)25)21-15-14-19-10-5-6-11-20(19)18(21)2/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKeyWDMDEKYYSBBMBO-UHFFFAOYSA-N
MW327.47 g/mol
LogP6.96
Rot. Bonds5

About 3-(1-methylnaphthalen-2-yl)-1-pentylindole

3-(1-methylnaphthalen-2-yl)-1-pentylindole (PubChem CID 166792359) has the molecular formula C24H25N and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-(1-methylnaphthalen-2-yl)-1-pentylindole.

Molecular Properties

Compound Name3-(1-methylnaphthalen-2-yl)-1-pentylindole
PubChem CID166792359
Molecular FormulaC24H25N
Molecular Weight327.47 g/mol
Exact Mass327.20
IUPAC Name3-(1-methylnaphthalen-2-yl)-1-pentylindole
SMILESCCCCCn1cc(-c2ccc3ccccc3c2C)c2ccccc21
InChIInChI=1S/C24H25N/c1-3-4-9-16-25-17-23(22-12-7-8-13-24(22)25)21-15-14-19-10-5-6-11-20(19)18(21)2/h5-8,10-15,17H,3-4,9,16H2,1-2H3
InChIKeyWDMDEKYYSBBMBO-UHFFFAOYSA-N
XLogP6.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(1-dodecylindol-3-yl)pyrrole-2,5-dione
CID 139200953
3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557582
3-ethenyl-1-hexylindole
CID 141093384
ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557581
1-benzyl-3-(1-pentylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione
CID 11409976
(2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 11268746
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
trimethyl-[(1-octylindol-3-yl)methyl]azanium iodide
CID 70692357
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392
(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154
heptane;phenanthrene
CID 157482146
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
CID 70686044

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylnaphthalen-2-yl)-1-pentylindole?
The IUPAC name of 3-(1-methylnaphthalen-2-yl)-1-pentylindole (CID 166792359) is 3-(1-methylnaphthalen-2-yl)-1-pentylindole.
What is the SMILES notation for 3-(1-methylnaphthalen-2-yl)-1-pentylindole?
The canonical SMILES for 3-(1-methylnaphthalen-2-yl)-1-pentylindole is CCCCCn1cc(-c2ccc3ccccc3c2C)c2ccccc21.
What is the InChIKey of 3-(1-methylnaphthalen-2-yl)-1-pentylindole?
The InChIKey is WDMDEKYYSBBMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N/c1-3-4-9-16-25-17-23(22-12-7-8-13-24(22)25)21-15-14-19-10-5-6-11-20(19)18(21)2/h5-8,10-15,17H,3-4,9,16H2,1-2H3.
What are the key properties of 3-(1-methylnaphthalen-2-yl)-1-pentylindole?
3-(1-methylnaphthalen-2-yl)-1-pentylindole has a molecular weight of 327.47 g/mol, XLogP of 6.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylnaphthalen-2-yl)-1-pentylindole is sourced from PubChem (CID 166792359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).