2-heptyl-1,3-dihydroisoindol-4-amine

C15H24N2 — CID 43370261

IUPAC2-heptyl-1,3-dihydroisoindol-4-amine
SMILESCCCCCCCN1Cc2cccc(N)c2C1
InChIInChI=1S/C15H24N2/c1-2-3-4-5-6-10-17-11-13-8-7-9-15(16)14(13)12-17/h7-9H,2-6,10-12,16H2,1H3
InChIKeyNNOSLWFFMKFPJF-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.55
Rot. Bonds6

About 2-heptyl-1,3-dihydroisoindol-4-amine

2-heptyl-1,3-dihydroisoindol-4-amine (PubChem CID 43370261) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-heptyl-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-heptyl-1,3-dihydroisoindol-4-amine
PubChem CID43370261
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-heptyl-1,3-dihydroisoindol-4-amine
SMILESCCCCCCCN1Cc2cccc(N)c2C1
InChIInChI=1S/C15H24N2/c1-2-3-4-5-6-10-17-11-13-8-7-9-15(16)14(13)12-17/h7-9H,2-6,10-12,16H2,1H3
InChIKeyNNOSLWFFMKFPJF-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-nonyl-1,3-dihydroisoindol-4-amine
CID 43370262
2-(3-phenylpropyl)-1,3-dihydroisoindol-4-amine
CID 43370258
2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine
CID 106008219
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
ethyl 6-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)hexanoate
CID 114524193
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-butylacetamide
CID 61485500
2-heptyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559333
2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 80686424
2-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 80686573
6-bromo-2-hexyl-1,3-dihydrobenzo[de]isoquinoline
CID 141349765
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
1-nonyl-2,3-dihydroindol-7-amine
CID 114456337

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-heptyl-1,3-dihydroisoindol-4-amine (CID 43370261) is 2-heptyl-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-heptyl-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-heptyl-1,3-dihydroisoindol-4-amine is CCCCCCCN1Cc2cccc(N)c2C1.
What is the InChIKey of 2-heptyl-1,3-dihydroisoindol-4-amine?
The InChIKey is NNOSLWFFMKFPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-3-4-5-6-10-17-11-13-8-7-9-15(16)14(13)12-17/h7-9H,2-6,10-12,16H2,1H3.
What are the key properties of 2-heptyl-1,3-dihydroisoindol-4-amine?
2-heptyl-1,3-dihydroisoindol-4-amine has a molecular weight of 232.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43370261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).