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'}

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Related Compounds

2-amino-1-butoxyguanidine;1-butoxy-2-[(E)-(2-chlorophenyl)methylideneamino]guanidine;2-chlorobenzaldehyde
CID 172950603
2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 10060509
2-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-hydroxyguanidine;hydrochloride
CID 172915821
2-[(2-chlorophenyl)methylideneamino]-1-(2-ethoxyethoxy)guanidine
CID 140788358
2-[(E)-(2-fluoro-6-methylphenyl)methylideneamino]-1-propoxyguanidine
CID 172981677
2-amino-1-(3-methylsulfonylpropoxy)guanidine;2-chlorobenzaldehyde;2-[(E)-(2-chlorophenyl)methylideneamino]-1-(3-methylsulfonylpropoxy)guanidine;methane
CID 172952183
methyl N'-[(E)-(2,6-dichlorophenyl)methylideneamino]carbamimidothioate
CID 172916516
2-nitrooxyethyl N-[(E)-N'-[(E)-(2,6-dichlorophenyl)methylideneamino]carbamimidoyl]carbamate
CID 135900530
2-[(E)-(4-butoxyphenyl)methylideneamino]-1-[(E)-(4-pentoxyphenyl)methylideneamino]guanidine
CID 172923446
N-[(2,6-dichlorophenyl)methylideneamino]nonanamide
CID 3711942
[3-chloro-2-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl] acetate
CID 146217397
2-[(E)-(3-butoxyphenyl)methylideneamino]guanidine
CID 110340446

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).