ZQG
3-(1H-imidazol-2-yl)propan-1-amine
Created: | 2021-05-19 |
Last modified: | 2021-06-09 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 20 |
Chiral Atom Count | 0 |
Bond Count | 20 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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Name | 3-(1H-imidazol-2-yl)propan-1-amine |
Systematic Name (OpenEye OEToolkits) | 3-(1~{H}-imidazol-2-yl)propan-1-amine |
Formula | C6 H11 N3 |
Molecular Weight | 125.172 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NCCCc1ncc[NH]1 |
SMILES | CACTVS | 3.385 | NCCCc1[nH]ccn1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc([nH]1)CCCN |
Canonical SMILES | CACTVS | 3.385 | NCCCc1[nH]ccn1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cnc([nH]1)CCCN |
InChI | InChI | 1.03 | InChI=1S/C6H11N3/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2,(H,8,9) |
InChIKey | InChI | 1.03 | HQNOODJDSFSURF-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 13290797 |