2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine

C19H18N4O — CID 2716651

IUPAC2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C19H18N4O/c20-19(21)23-22-12-14-8-10-17(11-9-14)24-13-16-6-3-5-15-4-1-2-7-18(15)16/h1-12H,13H2,(H4,20,21,23)
InChIKeySKTPXAMCYVFMEG-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.03
Rot. Bonds5

About 2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine

2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine (PubChem CID 2716651) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
PubChem CID2716651
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(OCc2cccc3ccccc23)cc1
InChIInChI=1S/C19H18N4O/c20-19(21)23-22-12-14-8-10-17(11-9-14)24-13-16-6-3-5-15-4-1-2-7-18(15)16/h1-12H,13H2,(H4,20,21,23)
InChIKeySKTPXAMCYVFMEG-UHFFFAOYSA-N
XLogP3.03
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine (CID 2716651) is 2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccc(OCc2cccc3ccccc23)cc1.
What is the InChIKey of 2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine?
The InChIKey is SKTPXAMCYVFMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c20-19(21)23-22-12-14-8-10-17(11-9-14)24-13-16-6-3-5-15-4-1-2-7-18(15)16/h1-12H,13H2,(H4,20,21,23).
What are the key properties of 2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine?
2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine has a molecular weight of 318.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 2716651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).