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Isopentenyladenine
CAS: 2365-40-4 | C10H13N5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2365-40-4
Molecular Formula:
C10H13N5
Molecular Mass:
203.25 g/mol
Names and Synonyms:
Isopentenyladenine
N6-(Δ2-Isopentenyl)aminopurine
6-(Δ2-Isopentenylamino)purine
N6-(γ,γ-Dimethylallyl)aminopurine
6-Isopentenyladenine
N-(3-Methyl-2-butenyl)-1H-purin-6-amine
IPA
Bryokinin
DMAA
NSC 106958
Enadenine
N6-Isopentenyladenine
9H-Purin-6-amine, N-(3-methyl-2-buten-1-yl)-
Adenine, N-(3-methyl-2-butenyl)-
1H-Purin-6-amine, N-(3-methyl-2-butenyl)-
N-(3-Methyl-2-buten-1-yl)-9H-purin-6-amine
6-(γ,γ-Dimethylallylamino)purine
6-N-(3-Methylbut-2-enylamino)purine
N-(γ,γ-Dimethylallyl)adenine
N6-Isopentenyladenine
N6-(2-Isopentenyl)adenine
N6-(3-Methyl-2-butenyl)adenine
2ip
N6-(Δ2-Isopentenyl)adenine
Isopentenyladenine
6-(3-Methyl-2-buten-1-ylamino)purine
N-(3-Methyl-2-butenyl)adenine
6-[(3-Methyl-2-butenyl)amino]purine
Identifiers:
SMILES:
CC(C)=CCNc1nc[nH]c2ncnc1-2
InChI:
InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
Key Properties
Melting Point
218-220 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 203.25 g/mol | CAS Common Chemistry |
| 203.24900000000002 g/mol | RDKit | |
| 203.11709541599998 g/mol | RDKit | |
| Canonical SMILES | N1=CN=C(NCC=C(C)C)C=2NC=NC12 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=HYVABZIGRDEKCD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 218-220 °C | CAS Common Chemistry |
| Name | Isopentenyladenine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.49000000000001 Ų | RDKit |
| LogP | 1.6825999999999997 | RDKit |
| Molar Refractivity | 58.720400000000026 | RDKit |
