2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine

C13H20N4O2 — CID 168592546

IUPAC2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine
SMILESCCCCOc1c(C=NN=C(N)N)cccc1OC
InChIInChI=1S/C13H20N4O2/c1-3-4-8-19-12-10(9-16-17-13(14)15)6-5-7-11(12)18-2/h5-7,9H,3-4,8H2,1-2H3,(H4,14,15,17)
InChIKeyVAXIEKMZCKEBEQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.48
Rot. Bonds7

About 2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine

2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine (PubChem CID 168592546) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine
PubChem CID168592546
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine
SMILESCCCCOc1c(C=NN=C(N)N)cccc1OC
InChIInChI=1S/C13H20N4O2/c1-3-4-8-19-12-10(9-16-17-13(14)15)6-5-7-11(12)18-2/h5-7,9H,3-4,8H2,1-2H3,(H4,14,15,17)
InChIKeyVAXIEKMZCKEBEQ-UHFFFAOYSA-N
XLogP1.48
TPSA95.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(2-hexoxy-3-methoxyphenyl)methylideneamino]guanidine
CID 168590982
2-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592742
2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine
CID 168592427
2-[(E)-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 110340285
2-[(E)-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]-2,3-dipropoxyphenyl]methylideneamino]guanidine;dihydrochloride
CID 45263357
2-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592321
2-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]guanidine
CID 168592741
2-[(8-methoxynaphthalen-1-yl)methylideneamino]guanidine
CID 168591904
(5Z)-5-[(E)-(2-butoxy-3-methoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one
CID 137275682
methyl N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]carbamimidothioate
CID 110510355
(5Z)-5-[(E)-(3-methoxy-2-pentoxyphenyl)methylidenehydrazinylidene]-6-methylidene-1,2,4-triazin-3-one
CID 137262582
2-[(E)-(3-butoxyphenyl)methylideneamino]guanidine
CID 110340446

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine (CID 168592546) is 2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine is CCCCOc1c(C=NN=C(N)N)cccc1OC.
What is the InChIKey of 2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine?
The InChIKey is VAXIEKMZCKEBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-4-8-19-12-10(9-16-17-13(14)15)6-5-7-11(12)18-2/h5-7,9H,3-4,8H2,1-2H3,(H4,14,15,17).
What are the key properties of 2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine?
2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine has a molecular weight of 264.33 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168592546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).