1-methyl-3-pentyl-2H-isoindole

C14H19N — CID 91004713

IUPAC1-methyl-3-pentyl-2H-isoindole
SMILESCCCCCc1[nH]c(C)c2ccccc12
InChIInChI=1S/C14H19N/c1-3-4-5-10-14-13-9-7-6-8-12(13)11(2)15-14/h6-9,15H,3-5,10H2,1-2H3
InChIKeyJSXYSIIDWXRMGG-UHFFFAOYSA-N
MW201.31 g/mol
LogP4.21
Rot. Bonds4

About 1-methyl-3-pentyl-2H-isoindole

1-methyl-3-pentyl-2H-isoindole (PubChem CID 91004713) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-methyl-3-pentyl-2H-isoindole.

Molecular Properties

Compound Name1-methyl-3-pentyl-2H-isoindole
PubChem CID91004713
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-methyl-3-pentyl-2H-isoindole
SMILESCCCCCc1[nH]c(C)c2ccccc12
InChIInChI=1S/C14H19N/c1-3-4-5-10-14-13-9-7-6-8-12(13)11(2)15-14/h6-9,15H,3-5,10H2,1-2H3
InChIKeyJSXYSIIDWXRMGG-UHFFFAOYSA-N
XLogP4.21
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.21
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

1-hexyl-2H-isoindole
CID 91174886
1-pentyl-3-(4H-1,3-phosphaborol-2-yl)-2H-isoindole
CID 91307247
2-octyl-3-phenyl-1H-quinolin-4-one
CID 135391605
9,10-dibutylanthracene
CID 605822
3-hydroxy-2-octyl-1H-quinolin-4-one
CID 50915414
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082
2-tert-butyl-3-pentyl-1H-indole
CID 121472314
4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
9-bromo-10-hexylanthracene
CID 141284839
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
10-octylanthracen-9-amine
CID 87887624
3-(2-chlorophenyl)-2-hexyl-1H-indole
CID 86023590

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pentyl-2H-isoindole?
The IUPAC name of 1-methyl-3-pentyl-2H-isoindole (CID 91004713) is 1-methyl-3-pentyl-2H-isoindole.
What is the SMILES notation for 1-methyl-3-pentyl-2H-isoindole?
The canonical SMILES for 1-methyl-3-pentyl-2H-isoindole is CCCCCc1[nH]c(C)c2ccccc12.
What is the InChIKey of 1-methyl-3-pentyl-2H-isoindole?
The InChIKey is JSXYSIIDWXRMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-3-4-5-10-14-13-9-7-6-8-12(13)11(2)15-14/h6-9,15H,3-5,10H2,1-2H3.
What are the key properties of 1-methyl-3-pentyl-2H-isoindole?
1-methyl-3-pentyl-2H-isoindole has a molecular weight of 201.31 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pentyl-2H-isoindole is sourced from PubChem (CID 91004713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).