1-dodecan-6-yl-2,3-dihydroindole

C20H33N — CID 139359404

IUPAC1-dodecan-6-yl-2,3-dihydroindole
SMILESCCCCCCC(CCCCC)N1CCc2ccccc21
InChIInChI=1S/C20H33N/c1-3-5-7-9-14-19(13-8-6-4-2)21-17-16-18-12-10-11-15-20(18)21/h10-12,15,19H,3-9,13-14,16-17H2,1-2H3
InChIKeySQMSVRWKBJBGSK-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.97
Rot. Bonds10

About 1-dodecan-6-yl-2,3-dihydroindole

1-dodecan-6-yl-2,3-dihydroindole (PubChem CID 139359404) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-dodecan-6-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-dodecan-6-yl-2,3-dihydroindole
PubChem CID139359404
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-dodecan-6-yl-2,3-dihydroindole
SMILESCCCCCCC(CCCCC)N1CCc2ccccc21
InChIInChI=1S/C20H33N/c1-3-5-7-9-14-19(13-8-6-4-2)21-17-16-18-12-10-11-15-20(18)21/h10-12,15,19H,3-9,13-14,16-17H2,1-2H3
InChIKeySQMSVRWKBJBGSK-UHFFFAOYSA-N
XLogP5.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.97
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

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CID 83043122
2-(2,3-dihydroindol-1-yl)pentanoic acid
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1-butyl-2,3-dihydroindole
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1-(1-methoxypropyl)-2,3-dihydroindole
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2-(2,3-dihydroindol-1-yl)pentan-3-one
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Frequently Asked Questions

What is the IUPAC name of 1-dodecan-6-yl-2,3-dihydroindole?
The IUPAC name of 1-dodecan-6-yl-2,3-dihydroindole (CID 139359404) is 1-dodecan-6-yl-2,3-dihydroindole.
What is the SMILES notation for 1-dodecan-6-yl-2,3-dihydroindole?
The canonical SMILES for 1-dodecan-6-yl-2,3-dihydroindole is CCCCCCC(CCCCC)N1CCc2ccccc21.
What is the InChIKey of 1-dodecan-6-yl-2,3-dihydroindole?
The InChIKey is SQMSVRWKBJBGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-5-7-9-14-19(13-8-6-4-2)21-17-16-18-12-10-11-15-20(18)21/h10-12,15,19H,3-9,13-14,16-17H2,1-2H3.
What are the key properties of 1-dodecan-6-yl-2,3-dihydroindole?
1-dodecan-6-yl-2,3-dihydroindole has a molecular weight of 287.49 g/mol, XLogP of 5.97, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecan-6-yl-2,3-dihydroindole is sourced from PubChem (CID 139359404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).