1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine

C9H11Cl2N5 — CID 21161372

IUPAC1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine
SMILESCc1cc(Cl)c(/N=C(/N)N=C(N)N)c(Cl)c1
InChIInChI=1S/C9H11Cl2N5/c1-4-2-5(10)7(6(11)3-4)15-9(14)16-8(12)13/h2-3H,1H3,(H6,12,13,14,15,16)
InChIKeyXQFLNNBZLXBUMI-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.52
Rot. Bonds1

About 1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine

1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine (PubChem CID 21161372) has the molecular formula C9H11Cl2N5 and a molecular weight of 260.13 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine
PubChem CID21161372
Molecular FormulaC9H11Cl2N5
Molecular Weight260.13 g/mol
Exact Mass259.04
IUPAC Name1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine
SMILESCc1cc(Cl)c(/N=C(/N)N=C(N)N)c(Cl)c1
InChIInChI=1S/C9H11Cl2N5/c1-4-2-5(10)7(6(11)3-4)15-9(14)16-8(12)13/h2-3H,1H3,(H6,12,13,14,15,16)
InChIKeyXQFLNNBZLXBUMI-UHFFFAOYSA-N
XLogP1.52
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.52
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

1-(diaminomethylidene)-2-(2,6-difluoro-4-methylphenyl)guanidine
CID 21161438
2-(2-chloro-4,6-dimethylphenyl)guanidine
CID 57071675
1-(diaminomethylidene)-2-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]guanidine
CID 168601751
bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene
CID 70011806
1-(diaminomethylidene)-2-(4,6-dibromo-3-chloro-2-methylphenyl)guanidine
CID 168601731
2-(4-chloro-2,6-diethylphenyl)-1-(diaminomethylidene)guanidine
CID 23348887
2-[[amino-(diaminomethylideneamino)methylidene]amino]-4-chloro-3-methylbenzoic acid
CID 168603074
2-(5-bromo-2-chloro-3-methylphenyl)-1-(diaminomethylidene)guanidine
CID 168603304
1-(diaminomethylidene)-2-(3,5-dichloro-2-hydroxy-4-methylphenyl)guanidine
CID 168605867
2-(4-bromo-3-chloro-5-methylphenyl)-1-(diaminomethylidene)guanidine
CID 168603138
2-(2-chloro-6-fluoro-4-nitrophenyl)-1-(diaminomethylidene)guanidine
CID 168603454
1-(diaminomethylidene)-2-(4,6-dibromo-2-fluoro-3-methylphenyl)guanidine
CID 168605688

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine (CID 21161372) is 1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine is Cc1cc(Cl)c(/N=C(/N)N=C(N)N)c(Cl)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine?
The InChIKey is XQFLNNBZLXBUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N5/c1-4-2-5(10)7(6(11)3-4)15-9(14)16-8(12)13/h2-3H,1H3,(H6,12,13,14,15,16).
What are the key properties of 1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine?
1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine has a molecular weight of 260.13 g/mol, XLogP of 1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine is sourced from PubChem (CID 21161372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).