1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine

C12H16Cl2N4O — CID 172918159

IUPAC1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine
SMILESCCCCONC(N)=N/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2N4O/c1-2-3-7-19-18-12(15)17-16-8-9-10(13)5-4-6-11(9)14/h4-6,8H,2-3,7H2,1H3,(H3,15,17,18)/b16-8+
InChIKeyAXJAXJGFSLXJGF-LZYBPNLTSA-N
MW303.19 g/mol
LogP2.96
Rot. Bonds6

About 1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine

1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine (PubChem CID 172918159) has the molecular formula C12H16Cl2N4O and a molecular weight of 303.19 g/mol. Its IUPAC name is 1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine
PubChem CID172918159
Molecular FormulaC12H16Cl2N4O
Molecular Weight303.19 g/mol
Exact Mass302.07
IUPAC Name1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine
SMILESCCCCONC(N)=N/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2N4O/c1-2-3-7-19-18-12(15)17-16-8-9-10(13)5-4-6-11(9)14/h4-6,8H,2-3,7H2,1H3,(H3,15,17,18)/b16-8+
InChIKeyAXJAXJGFSLXJGF-LZYBPNLTSA-N
XLogP2.96
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine?
The IUPAC name of 1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine (CID 172918159) is 1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine.
What is the SMILES notation for 1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine?
The canonical SMILES for 1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine is CCCCONC(N)=N/N=C/c1c(Cl)cccc1Cl.
What is the InChIKey of 1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine?
The InChIKey is AXJAXJGFSLXJGF-LZYBPNLTSA-N. The full InChI is InChI=1S/C12H16Cl2N4O/c1-2-3-7-19-18-12(15)17-16-8-9-10(13)5-4-6-11(9)14/h4-6,8H,2-3,7H2,1H3,(H3,15,17,18)/b16-8+.
What are the key properties of 1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine?
1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine has a molecular weight of 303.19 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-[(E)-(2,6-dichlorophenyl)methylideneamino]guanidine is sourced from PubChem (CID 172918159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).