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

C17H28N2 — CID 43370262

IUPAC2-nonyl-1,3-dihydroisoindol-4-amine
SMILESCCCCCCCCCN1Cc2cccc(N)c2C1
InChIInChI=1S/C17H28N2/c1-2-3-4-5-6-7-8-12-19-13-15-10-9-11-17(18)16(15)14-19/h9-11H,2-8,12-14,18H2,1H3
InChIKeyUBNHYHMIEJVQQF-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.34
Rot. Bonds8

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

2-nonyl-1,3-dihydroisoindol-4-amine (PubChem CID 43370262) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-nonyl-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name2-nonyl-1,3-dihydroisoindol-4-amine
PubChem CID43370262
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-nonyl-1,3-dihydroisoindol-4-amine
SMILESCCCCCCCCCN1Cc2cccc(N)c2C1
InChIInChI=1S/C17H28N2/c1-2-3-4-5-6-7-8-12-19-13-15-10-9-11-17(18)16(15)14-19/h9-11H,2-8,12-14,18H2,1H3
InChIKeyUBNHYHMIEJVQQF-UHFFFAOYSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.34
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-heptyl-1,3-dihydroisoindol-4-amine
CID 43370261
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-nonyl-1,3-dihydroisoindol-4-amine?
The IUPAC name of 2-nonyl-1,3-dihydroisoindol-4-amine (CID 43370262) is 2-nonyl-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 2-nonyl-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 2-nonyl-1,3-dihydroisoindol-4-amine is CCCCCCCCCN1Cc2cccc(N)c2C1.
What is the InChIKey of 2-nonyl-1,3-dihydroisoindol-4-amine?
The InChIKey is UBNHYHMIEJVQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-3-4-5-6-7-8-12-19-13-15-10-9-11-17(18)16(15)14-19/h9-11H,2-8,12-14,18H2,1H3.
What are the key properties of 2-nonyl-1,3-dihydroisoindol-4-amine?
2-nonyl-1,3-dihydroisoindol-4-amine has a molecular weight of 260.42 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 43370262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).