1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine

C10H15N5O2 — CID 2730282

IUPAC1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine
SMILESCOc1cc(/N=C(\N)N=C(N)N)cc(OC)c1
InChIInChI=1S/C10H15N5O2/c1-16-7-3-6(4-8(5-7)17-2)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)
InChIKeyVQKIGKHIRBCYNE-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.08
Rot. Bonds3

About 1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine

1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine (PubChem CID 2730282) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine
PubChem CID2730282
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine
SMILESCOc1cc(/N=C(\N)N=C(N)N)cc(OC)c1
InChIInChI=1S/C10H15N5O2/c1-16-7-3-6(4-8(5-7)17-2)14-10(13)15-9(11)12/h3-5H,1-2H3,(H6,11,12,13,14,15)
InChIKeyVQKIGKHIRBCYNE-UHFFFAOYSA-N
XLogP-0.08
TPSA121.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N'-[N'-(3,5-dimethoxyphenyl)carbamimidoyl]piperidine-1-carboximidamide;hydrochloride
CID 162326479
2-(3-bromo-2-hydroxy-5-methoxyphenyl)-1-(diaminomethylidene)guanidine
CID 168605908
N'-(3,5-dimethoxyphenyl)-2-methylpropanimidamide
CID 63173838
1-(diaminomethylidene)-2-[3-(4-methoxyphenoxy)-5-nitrophenyl]guanidine
CID 168603025
bis(1-(diaminomethylidene)-2-(3,5-dimethylphenyl)guanidine);ethene
CID 70011806
1-(diaminomethylidene)-2-(2,5-dimethoxyphenyl)guanidine
CID 2968809
1-(diaminomethylidene)-2-[3-(2-methoxyphenoxy)-5-nitrophenyl]guanidine
CID 168603764
methyl 2-[[amino-(diaminomethylideneamino)methylidene]amino]-3-bromo-5-methoxybenzoate
CID 168605577
1-(diaminomethylidene)-2-[2-(4-methoxyphenoxy)phenyl]guanidine
CID 168602521
1,3,5-trimethoxybenzene;urea
CID 174919725
1-(diaminomethylidene)-2-(4-trimethoxysilylphenyl)guanidine
CID 168604796
1-(diaminomethylidene)-2-(4-ethoxyphenyl)guanidine
CID 29671

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine (CID 2730282) is 1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine is COc1cc(/N=C(\N)N=C(N)N)cc(OC)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine?
The InChIKey is VQKIGKHIRBCYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-16-7-3-6(4-8(5-7)17-2)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-(3,5-dimethoxyphenyl)guanidine?
1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine has a molecular weight of 237.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(3,5-dimethoxyphenyl)guanidine is sourced from PubChem (CID 2730282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).