1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine

C15H18N6O — CID 168602724

IUPAC1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1OCCc1ccccn1
InChIInChI=1S/C15H18N6O/c16-14(17)21-15(18)20-12-6-1-2-7-13(12)22-10-8-11-5-3-4-9-19-11/h1-7,9H,8,10H2,(H6,16,17,18,20,21)
InChIKeyQYWMEWUCTISYSE-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.92
Rot. Bonds5

About 1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine

1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine (PubChem CID 168602724) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine
PubChem CID168602724
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1OCCc1ccccn1
InChIInChI=1S/C15H18N6O/c16-14(17)21-15(18)20-12-6-1-2-7-13(12)22-10-8-11-5-3-4-9-19-11/h1-7,9H,8,10H2,(H6,16,17,18,20,21)
InChIKeyQYWMEWUCTISYSE-UHFFFAOYSA-N
XLogP0.92
TPSA124.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.92
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

1-(diaminomethylidene)-2-[4-(2-pyridin-2-ylethyl)phenyl]guanidine
CID 168602362
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
2-[2-(2-nitrophenoxy)ethyl]pyridine
CID 68857749
2-methyl-6-(2-pyridin-2-ylethoxy)aniline
CID 60892801
(NE)-N-[1-[2-(2-pyridin-2-ylethoxy)phenyl]propylidene]hydroxylamine
CID 60893000
4-bromo-N'-hydroxy-2-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 114904269
3-chloro-4-(2-pyridin-2-ylethoxy)benzenecarbothioamide
CID 61389061
2-pyridin-2-ylethyl 3-(2-aminophenoxy)propanoate
CID 61314652
6-(2-pyridin-2-ylethoxy)pyridine-3-carbothioamide
CID 43128879
6-(2-pyridin-2-ylethoxy)pyrazin-2-amine
CID 80646671
2-pyridin-2-ylethoxymethanedithioate
CID 175683293
4-(2-pyridin-2-ylethoxy)phenol
CID 60892821

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine (CID 168602724) is 1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine is NC(N)=N/C(N)=N/c1ccccc1OCCc1ccccn1.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine?
The InChIKey is QYWMEWUCTISYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c16-14(17)21-15(18)20-12-6-1-2-7-13(12)22-10-8-11-5-3-4-9-19-11/h1-7,9H,8,10H2,(H6,16,17,18,20,21).
What are the key properties of 1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine?
1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine has a molecular weight of 298.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(2-pyridin-2-ylethoxy)phenyl]guanidine is sourced from PubChem (CID 168602724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).