5-tert-butyl-3-iminoisoindol-1-amine

C12H15N3 — CID 688253

IUPAC5-tert-butyl-3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C12H15N3/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13/h4-6H,1-3H3,(H3,13,14,15)
InChIKeyQFTATDRGOXHSPJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.03
Rot. Bonds

About 5-tert-butyl-3-iminoisoindol-1-amine

5-tert-butyl-3-iminoisoindol-1-amine (PubChem CID 688253) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-tert-butyl-3-iminoisoindol-1-amine.

Molecular Properties

Compound Name5-tert-butyl-3-iminoisoindol-1-amine
PubChem CID688253
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5-tert-butyl-3-iminoisoindol-1-amine
SMILES[H]/N=C1\N=C(N)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C12H15N3/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13/h4-6H,1-3H3,(H3,13,14,15)
InChIKeyQFTATDRGOXHSPJ-UHFFFAOYSA-N
XLogP2.03
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1H-Isoindol-3-amine, 1-imino-
CID 18980
1,3-Diiminobenz(f)isoindoline
CID 171660
3-Amino-1H-isoindole hydrochloride
CID 2795203
1H-isoindol-3-amine
CID 427859
9H-fluorene-2-carboximidamide;hydrochloride
CID 45260822
2-(4-carbamimidoylphenyl)-3H-indene-5-carboxamidine
CID 3010575
3,4-Dimethylbenzene-1-carboximidamide
CID 5221300
2-Methyl-benzamidine
CID 576480
2-Methylbenzene-1-carboximidamide hydrochloride
CID 21413664
3,3-Dimethyl-3,4-dihydro-isoquinolin-1-ylamine
CID 12283980
3,5-Dihydro-3,5-diiminobenzo[1,2-C:4,5-C']dipyrrole-1,7-diamine
CID 359178
5-[2-(4-methylphenyl)phenyl]-3H-1,2,4-triazole
CID 57398051

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-iminoisoindol-1-amine?
The IUPAC name of 5-tert-butyl-3-iminoisoindol-1-amine (CID 688253) is 5-tert-butyl-3-iminoisoindol-1-amine.
What is the SMILES notation for 5-tert-butyl-3-iminoisoindol-1-amine?
The canonical SMILES for 5-tert-butyl-3-iminoisoindol-1-amine is [H]/N=C1\N=C(N)c2ccc(C(C)(C)C)cc21.
What is the InChIKey of 5-tert-butyl-3-iminoisoindol-1-amine?
The InChIKey is QFTATDRGOXHSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13/h4-6H,1-3H3,(H3,13,14,15).
What are the key properties of 5-tert-butyl-3-iminoisoindol-1-amine?
5-tert-butyl-3-iminoisoindol-1-amine has a molecular weight of 201.27 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-iminoisoindol-1-amine is sourced from PubChem (CID 688253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).