1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine

C13H19N5O2 — CID 168602437

IUPAC1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1OCC1CCCO1
InChIInChI=1S/C13H19N5O2/c14-12(15)18-13(16)17-10-5-1-2-6-11(10)20-8-9-4-3-7-19-9/h1-2,5-6,9H,3-4,7-8H2,(H6,14,15,16,17,18)
InChIKeyHKNZSRXENCPZOP-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.46
Rot. Bonds4

About 1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine

1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine (PubChem CID 168602437) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine
PubChem CID168602437
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1OCC1CCCO1
InChIInChI=1S/C13H19N5O2/c14-12(15)18-13(16)17-10-5-1-2-6-11(10)20-8-9-4-3-7-19-9/h1-2,5-6,9H,3-4,7-8H2,(H6,14,15,16,17,18)
InChIKeyHKNZSRXENCPZOP-UHFFFAOYSA-N
XLogP0.46
TPSA121.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.46
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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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine (CID 168602437) is 1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine is NC(N)=N/C(N)=N/c1ccccc1OCC1CCCO1.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine?
The InChIKey is HKNZSRXENCPZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c14-12(15)18-13(16)17-10-5-1-2-6-11(10)20-8-9-4-3-7-19-9/h1-2,5-6,9H,3-4,7-8H2,(H6,14,15,16,17,18).
What are the key properties of 1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine?
1-(diaminomethylidene)-2-[2-(oxolan-2-ylmethoxy)phenyl]guanidine has a molecular weight of 277.33 g/mol, XLogP of 0.46, 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-(oxolan-2-ylmethoxy)phenyl]guanidine is sourced from PubChem (CID 168602437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).