3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine

C11H15Cl2N5 — CID 23348813

IUPAC3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine
SMILES[H]/N=C(\N=C(N)N)N(CC)c1c(C)cc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2N5/c1-3-18(11(16)17-10(14)15)9-6(2)4-7(12)5-8(9)13/h4-5H,3H2,1-2H3,(H5,14,15,16,17)
InChIKeyANNGZNLXFKFVEN-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.34
Rot. Bonds2

About 3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine

3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine (PubChem CID 23348813) has the molecular formula C11H15Cl2N5 and a molecular weight of 288.18 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine
PubChem CID23348813
Molecular FormulaC11H15Cl2N5
Molecular Weight288.18 g/mol
Exact Mass287.07
IUPAC Name3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine
SMILES[H]/N=C(\N=C(N)N)N(CC)c1c(C)cc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2N5/c1-3-18(11(16)17-10(14)15)9-6(2)4-7(12)5-8(9)13/h4-5H,3H2,1-2H3,(H5,14,15,16,17)
InChIKeyANNGZNLXFKFVEN-UHFFFAOYSA-N
XLogP2.34
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.34
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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Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine?
The IUPAC name of 3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine (CID 23348813) is 3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine is [H]/N=C(\N=C(N)N)N(CC)c1c(C)cc(Cl)cc1Cl.
What is the InChIKey of 3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine?
The InChIKey is ANNGZNLXFKFVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N5/c1-3-18(11(16)17-10(14)15)9-6(2)4-7(12)5-8(9)13/h4-5H,3H2,1-2H3,(H5,14,15,16,17).
What are the key properties of 3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine?
3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine has a molecular weight of 288.18 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-(2,4-dichloro-6-methylphenyl)-1-ethylguanidine is sourced from PubChem (CID 23348813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).