(1Z)-N'~1~-(3-{3-[(Pyrrolidin-1-yl)methyl]phenoxy}propyl)ethanediimidamide
Basic information
- CAS
89078-09-1- Standard SMILES
N=C(N)C(N)=NCCCOc1cccc(CN2CCCC2)c1- InChIKey
IRQUPRKBBWVPAU-UHFFFAOYSA-N- Molecular formula
- C16H25N5O
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.20591044
Names & identifiers
- Preferred name
- (1Z)-N'~1~-(3-{3-[(Pyrrolidin-1-yl)methyl]phenoxy}propyl)ethanediimidamide
- IUPAC
- 2-N'-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]ethanediimidamide
Names & synonyms
89078-09-1SCHEMBL10860612SCHEMBL10860618DTXSID10536441(1Z)-N'~1~-(3-{3-[(Pyrrolidin-1-yl)methyl]phenoxy}propyl)ethanediimidamide
Database identifiers
- CAS
89078-09-1- PubChem CID
- 13313680
- DTXSID
DTXSID10536441
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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