1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine

C10H15N5O2 — CID 168602475

IUPAC1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine
SMILESCOCOc1ccccc1/N=C(\N)N=C(N)N
InChIInChI=1S/C10H15N5O2/c1-16-6-17-8-5-3-2-4-7(8)14-10(13)15-9(11)12/h2-5H,6H2,1H3,(H6,11,12,13,14,15)
InChIKeyLGAUXEDUFLQMKJ-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.11
Rot. Bonds4

About 1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine

1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine (PubChem CID 168602475) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine
PubChem CID168602475
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine
SMILESCOCOc1ccccc1/N=C(\N)N=C(N)N
InChIInChI=1S/C10H15N5O2/c1-16-6-17-8-5-3-2-4-7(8)14-10(13)15-9(11)12/h2-5H,6H2,1H3,(H6,11,12,13,14,15)
InChIKeyLGAUXEDUFLQMKJ-UHFFFAOYSA-N
XLogP-0.11
TPSA121.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine (CID 168602475) is 1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine is COCOc1ccccc1/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine?
The InChIKey is LGAUXEDUFLQMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-16-6-17-8-5-3-2-4-7(8)14-10(13)15-9(11)12/h2-5H,6H2,1H3,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine?
1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine has a molecular weight of 237.26 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine is sourced from PubChem (CID 168602475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).