1-hexyl-2H-isoindole

C14H19N — CID 91174886

IUPAC1-hexyl-2H-isoindole
SMILESCCCCCCc1[nH]cc2ccccc12
InChIInChI=1S/C14H19N/c1-2-3-4-5-10-14-13-9-7-6-8-12(13)11-15-14/h6-9,11,15H,2-5,10H2,1H3
InChIKeyIZMVJBRHHNRXPW-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.29
Rot. Bonds5

About 1-hexyl-2H-isoindole

1-hexyl-2H-isoindole (PubChem CID 91174886) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-hexyl-2H-isoindole.

Molecular Properties

Compound Name1-hexyl-2H-isoindole
PubChem CID91174886
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-hexyl-2H-isoindole
SMILESCCCCCCc1[nH]cc2ccccc12
InChIInChI=1S/C14H19N/c1-2-3-4-5-10-14-13-9-7-6-8-12(13)11-15-14/h6-9,11,15H,2-5,10H2,1H3
InChIKeyIZMVJBRHHNRXPW-UHFFFAOYSA-N
XLogP4.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.29
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

heptane;phenanthrene
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1-dodecan-2-yl-2H-isoindole
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1-decan-2-yl-2H-isoindole
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1-undecan-2-yl-2H-isoindole
CID 173176533
1-tetradecylnaphthalene
CID 14402128
3-heptyl-1H-indole
CID 15360907
1-methyl-3-pentyl-2H-isoindole
CID 91004713
potassium;hydride;1-octylnaphthalene
CID 173443599
1,2-didecylnaphthalene
CID 22410831
1-hexyl-2-benzofuran
CID 57181539
2-decyl-1-methylnaphthalene
CID 154261310
1,2-di(icosyl)naphthalene
CID 90782201

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2H-isoindole?
The IUPAC name of 1-hexyl-2H-isoindole (CID 91174886) is 1-hexyl-2H-isoindole.
What is the SMILES notation for 1-hexyl-2H-isoindole?
The canonical SMILES for 1-hexyl-2H-isoindole is CCCCCCc1[nH]cc2ccccc12.
What is the InChIKey of 1-hexyl-2H-isoindole?
The InChIKey is IZMVJBRHHNRXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-2-3-4-5-10-14-13-9-7-6-8-12(13)11-15-14/h6-9,11,15H,2-5,10H2,1H3.
What are the key properties of 1-hexyl-2H-isoindole?
1-hexyl-2H-isoindole has a molecular weight of 201.31 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2H-isoindole is sourced from PubChem (CID 91174886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).