3-iminoisoindol-1-amine

C16H14N6 — CID 139180243

IUPAC3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2ccccc21.[H]/N=C1\N=C(N)c2ccccc21
InChIInChI=1S/2C8H7N3/c2*9-7-5-3-1-2-4-6(5)8(10)11-7/h2*1-4H,(H3,9,10,11)
InChIKeyUIOAOMOPAALPLQ-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.46
Rot. Bonds

About 3-iminoisoindol-1-amine

3-iminoisoindol-1-amine (PubChem CID 139180243) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-iminoisoindol-1-amine.

Molecular Properties

Compound Name3-iminoisoindol-1-amine
PubChem CID139180243
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2ccccc21.[H]/N=C1\N=C(N)c2ccccc21
InChIInChI=1S/2C8H7N3/c2*9-7-5-3-1-2-4-6(5)8(10)11-7/h2*1-4H,(H3,9,10,11)
InChIKeyUIOAOMOPAALPLQ-UHFFFAOYSA-N
XLogP1.46
TPSA124.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

chloro acetate;3-iminoisoindol-1-amine
CID 174364510
3-chlorobenzoic acid;3-iminoisoindol-1-amine
CID 23223243
3-iminoisoindole-1,4-diamine
CID 173277790
ethane;3-iminobenzo[f]isoindol-1-amine;propane
CID 91220284
4-ethoxy-4-oxobutanoic acid;3-iminoisoindol-1-amine
CID 70196856
7-fluoro-3-iminoisoindol-1-amine
CID 139654062
(1-amino-3-iminoisoindol-5-yl)methanethiol
CID 155714870
CID 21470845
CID 21470845
CID 21470878
CID 21470878
3-imino-6-nitroisoindol-1-amine
CID 173160935
3-imino-6-phenoxybenzo[f]isoindol-1-amine
CID 163406159
5-butyl-3-iminoisoindol-1-amine
CID 70658508

Frequently Asked Questions

What is the IUPAC name of 3-iminoisoindol-1-amine?
The IUPAC name of 3-iminoisoindol-1-amine (CID 139180243) is 3-iminoisoindol-1-amine.
What is the SMILES notation for 3-iminoisoindol-1-amine?
The canonical SMILES for 3-iminoisoindol-1-amine is [H]/N=C1\N=C(N)c2ccccc21.[H]/N=C1\N=C(N)c2ccccc21.
What is the InChIKey of 3-iminoisoindol-1-amine?
The InChIKey is UIOAOMOPAALPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7N3/c2*9-7-5-3-1-2-4-6(5)8(10)11-7/h2*1-4H,(H3,9,10,11).
What are the key properties of 3-iminoisoindol-1-amine?
3-iminoisoindol-1-amine has a molecular weight of 290.33 g/mol, XLogP of 1.46, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminoisoindol-1-amine is sourced from PubChem (CID 139180243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).