1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine

C11H17N5 — CID 118455489

IUPAC1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine
SMILESCc1ccc(C/N=C(\N)N=C(N)N)c(C)c1
InChIInChI=1S/C11H17N5/c1-7-3-4-9(8(2)5-7)6-15-11(14)16-10(12)13/h3-5H,6H2,1-2H3,(H6,12,13,14,15,16)
InChIKeyDGYQHFZLEFUIFD-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.39
Rot. Bonds2

About 1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine

1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine (PubChem CID 118455489) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine
PubChem CID118455489
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine
SMILESCc1ccc(C/N=C(\N)N=C(N)N)c(C)c1
InChIInChI=1S/C11H17N5/c1-7-3-4-9(8(2)5-7)6-15-11(14)16-10(12)13/h3-5H,6H2,1-2H3,(H6,12,13,14,15,16)
InChIKeyDGYQHFZLEFUIFD-UHFFFAOYSA-N
XLogP0.39
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.39
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

methyl N'-[(2,4-dimethylphenyl)methyl]carbamimidothioate
CID 130705429
N'-[(2,4-dimethylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 111051638
1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide
CID 110029929
1-(diaminomethylidene)-2-[(2-fluoro-4-hydroxyphenyl)methyl]guanidine
CID 118466220
bis(1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine);ethene
CID 70011870
2-[(2-fluoro-4-methylphenyl)methyl]guanidine;hydrochloride
CID 141469416
N'-[(2,4-dimethylphenyl)methyl]-2-naphthalen-2-ylethanimidamide;hydrochloride
CID 45260142
2-(2,4-dimethylphenyl)ethanethioamide
CID 82075040
N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111051628
2-[(2-bromophenyl)methyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 162310547
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide
CID 111225204
2-[(4-bromo-2-methylphenyl)methyl]-1-tert-butylguanidine
CID 111808738

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine (CID 118455489) is 1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine is Cc1ccc(C/N=C(\N)N=C(N)N)c(C)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine?
The InChIKey is DGYQHFZLEFUIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7-3-4-9(8(2)5-7)6-15-11(14)16-10(12)13/h3-5H,6H2,1-2H3,(H6,12,13,14,15,16).
What are the key properties of 1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine?
1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine has a molecular weight of 219.29 g/mol, XLogP of 0.39, 2 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)methyl]guanidine is sourced from PubChem (CID 118455489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).