2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride

C14H19ClN2O2 — CID 122584996

IUPAC2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride
SMILESCCCCC(N)CN1C(=O)c2ccccc2C1=O.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-2-3-6-10(15)9-16-13(17)11-7-4-5-8-12(11)14(16)18;/h4-5,7-8,10H,2-3,6,9,15H2,1H3;1H
InChIKeyCOKGBCKXHIRXOW-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.22
Rot. Bonds5

About 2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride

2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride (PubChem CID 122584996) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride
PubChem CID122584996
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride
SMILESCCCCC(N)CN1C(=O)c2ccccc2C1=O.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-2-3-6-10(15)9-16-13(17)11-7-4-5-8-12(11)14(16)18;/h4-5,7-8,10H,2-3,6,9,15H2,1H3;1H
InChIKeyCOKGBCKXHIRXOW-UHFFFAOYSA-N
XLogP2.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyhexyl)isoindole-1,3-dione
CID 67854445
2-[(2S)-2-hydroxyoctyl]isoindole-1,3-dione
CID 102589808
tributyl-[(1,3-dioxoisoindol-2-yl)methyl]phosphanium bromide
CID 22165400
1-(2-aminopentyl)benzo[cd]indol-2-one
CID 62041461
2-(5-methylhexadecyl)isoindole-1,3-dione
CID 70431675
[(2R)-1-(1,3-dioxoisoindol-2-yl)octan-2-yl] acetate
CID 102589813
2-(1-aminohexan-2-yl)isoindole-1,3-dione
CID 80703930
2-(1-fluoropentyl)isoindole-1,3-dione
CID 126495372
2-(2-dodecoxy-3-octadecoxypropyl)isoindole-1,3-dione;ethane
CID 142168416
6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 16717830
2-[2-amino-3-(2-chlorophenyl)propyl]isoindole-1,3-dione
CID 69164248
2-[(2S)-2-amino-3-pyridin-4-ylpropyl]isoindole-1,3-dione
CID 69115427

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride (CID 122584996) is 2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride is CCCCC(N)CN1C(=O)c2ccccc2C1=O.Cl.
What is the InChIKey of 2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride?
The InChIKey is COKGBCKXHIRXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-2-3-6-10(15)9-16-13(17)11-7-4-5-8-12(11)14(16)18;/h4-5,7-8,10H,2-3,6,9,15H2,1H3;1H.
What are the key properties of 2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride?
2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminohexyl)isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 122584996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).