1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine

C10H15N5 — CID 20879

IUPAC1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine
SMILESCc1ccc(/N=C(\N)N=C(N)N)c(C)c1
InChIInChI=1S/C10H15N5/c1-6-3-4-8(7(2)5-6)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)
InChIKeyNEOMBHNYODRTQG-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.52
Rot. Bonds1

About 1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine

1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine (PubChem CID 20879) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine
PubChem CID20879
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine
SMILESCc1ccc(/N=C(\N)N=C(N)N)c(C)c1
InChIInChI=1S/C10H15N5/c1-6-3-4-8(7(2)5-6)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)
InChIKeyNEOMBHNYODRTQG-UHFFFAOYSA-N
XLogP0.52
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.52
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

o-Tolidine
CID 8413
2,4-Dimethylaniline
CID 7250
2,6-Dimethylaniline
CID 6896
Amitraz
CID 36324
4,4'-Diamino-3,3'-dimethyldiphenylmethane
CID 13283
2,6-Diethylaniline
CID 11369
N'-(2,4-dimethylphenyl)-N-methylformamidine
CID 36326
o-Tolylbiguanide
CID 7155
2-Ethyl-6-methylaniline
CID 32485
2,4,6-Trimethylaniline
CID 6913
2,6-Diethyl-p-toluidine
CID 90536
1,3-Benzenediamine, ar-ethyl-ar-methyl-
CID 19869829

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine (CID 20879) is 1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine is Cc1ccc(/N=C(\N)N=C(N)N)c(C)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine?
The InChIKey is NEOMBHNYODRTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-6-3-4-8(7(2)5-6)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine?
1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine has a molecular weight of 205.26 g/mol, XLogP of 0.52, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine is sourced from PubChem (CID 20879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).