2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine

C12H18ClN5 — CID 23348887

IUPAC2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine
SMILESCCc1cc(Cl)cc(CC)c1/N=C(/N)N=C(N)N
InChIInChI=1S/C12H18ClN5/c1-3-7-5-9(13)6-8(4-2)10(7)17-12(16)18-11(14)15/h5-6H,3-4H2,1-2H3,(H6,14,15,16,17,18)
InChIKeyXFZDQNWCORRAKY-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.68
Rot. Bonds3

About 2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine

2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine (PubChem CID 23348887) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine
PubChem CID23348887
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine
SMILESCCc1cc(Cl)cc(CC)c1/N=C(/N)N=C(N)N
InChIInChI=1S/C12H18ClN5/c1-3-7-5-9(13)6-8(4-2)10(7)17-12(16)18-11(14)15/h5-6H,3-4H2,1-2H3,(H6,14,15,16,17,18)
InChIKeyXFZDQNWCORRAKY-UHFFFAOYSA-N
XLogP1.68
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Chlordimeform
CID 22544
4-Chloro-2,6-dimethylaniline
CID 5073362
N-(4-chloro-2-cyanophenyl)imidodicarbonimidic diamide
CID 2730570
5-[(4-Amino-3-chloro-5-methylphenyl)methyl]-4,5-dihydropyrimidine-2,6-diamine
CID 44344875
N,N-Didemethylchlordimeform
CID 42141
Imidodicarbonimidic diamide, N-(4-chloro-2-methylphenyl)-
CID 2725584
4-Chloro-2,6-dimethylaniline--hydrogen chloride (1/1)
CID 18406981
4-Chloro-2-ethyl-6-methylaniline hydrochloride
CID 20490552
1-Amino-2-(4-chloro-2-methylphenyl)guanidine
CID 2826685
1-(4-Chloro-o-tolyl)biguanide monohydrochloride
CID 2725583
4-Chloro-2-ethynyl-6-methylaniline
CID 167741953
1-Amino-2-(4-chloro-2-methylphenyl)guanidine iodide
CID 45108864

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine (CID 23348887) is 2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine is CCc1cc(Cl)cc(CC)c1/N=C(/N)N=C(N)N.
What is the InChIKey of 2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine?
The InChIKey is XFZDQNWCORRAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5/c1-3-7-5-9(13)6-8(4-2)10(7)17-12(16)18-11(14)15/h5-6H,3-4H2,1-2H3,(H6,14,15,16,17,18).
What are the key properties of 2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine?
2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine has a molecular weight of 267.76 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 23348887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).