2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine

C13H18N4O2 — CID 168591459

IUPAC2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1OC1CCOCC1
InChIInChI=1S/C13H18N4O2/c14-13(15)17-16-9-10-3-1-2-4-12(10)19-11-5-7-18-8-6-11/h1-4,9,11H,5-8H2,(H4,14,15,17)
InChIKeyGNQRTHQXWQMIIL-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.85
Rot. Bonds4

About 2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine

2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine (PubChem CID 168591459) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine
PubChem CID168591459
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccccc1OC1CCOCC1
InChIInChI=1S/C13H18N4O2/c14-13(15)17-16-9-10-3-1-2-4-12(10)19-11-5-7-18-8-6-11/h1-4,9,11H,5-8H2,(H4,14,15,17)
InChIKeyGNQRTHQXWQMIIL-UHFFFAOYSA-N
XLogP0.85
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methoxybenzaldehyde azine
CID 9575478
(E)-2-(allyloxy)benzaldehyde oxime
CID 6867701
2-[[(2-Ethoxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 274035
2-(2-methoxybenzylidene)-N-nitrohydrazinecarboximidamide
CID 5334009
N''-[4-(benzyloxy)benzylidene]carbonohydrazonic diamide
CID 9568230
2-[[2-[(2-Chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 44522071
2-[(E)-[2-(3,5-dimethoxyphenoxy)phenyl]methylideneamino]guanidine
CID 44572999
2-(2-Butoxybenzylidene)hydrazinecarboximidamide
CID 9623394
2-[(E)-(3-hexoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 11820802
N-[2-(2-benzyloxy-3-methoxyphenyl)-(E)-1-meth(imine)]iminomethanediamine
CID 44332901
2-[(E)-(3-phenylmethoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 134130081
Hydrazinecarboximidamide, 2-((4-methoxyphenyl)methylene)-
CID 5343661

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine (CID 168591459) is 2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccccc1OC1CCOCC1.
What is the InChIKey of 2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine?
The InChIKey is GNQRTHQXWQMIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-13(15)17-16-9-10-3-1-2-4-12(10)19-11-5-7-18-8-6-11/h1-4,9,11H,5-8H2,(H4,14,15,17).
What are the key properties of 2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine?
2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine has a molecular weight of 262.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(oxan-4-yloxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168591459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).