1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine

C15H19N5O3 — CID 168603538

IUPAC1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine
SMILESCCOc1ccc(-c2ccc(CO)o2)cc1/N=C(\N)N=C(N)N
InChIInChI=1S/C15H19N5O3/c1-2-22-13-5-3-9(12-6-4-10(8-21)23-12)7-11(13)19-15(18)20-14(16)17/h3-7,21H,2,8H2,1H3,(H6,16,17,18,19,20)
InChIKeyILRWVXCYHGPDMP-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.06
Rot. Bonds5

About 1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine

1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine (PubChem CID 168603538) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine
PubChem CID168603538
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine
SMILESCCOc1ccc(-c2ccc(CO)o2)cc1/N=C(\N)N=C(N)N
InChIInChI=1S/C15H19N5O3/c1-2-22-13-5-3-9(12-6-4-10(8-21)23-12)7-11(13)19-15(18)20-14(16)17/h3-7,21H,2,8H2,1H3,(H6,16,17,18,19,20)
InChIKeyILRWVXCYHGPDMP-UHFFFAOYSA-N
XLogP1.06
TPSA145.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine (CID 168603538) is 1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine is CCOc1ccc(-c2ccc(CO)o2)cc1/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine?
The InChIKey is ILRWVXCYHGPDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-2-22-13-5-3-9(12-6-4-10(8-21)23-12)7-11(13)19-15(18)20-14(16)17/h3-7,21H,2,8H2,1H3,(H6,16,17,18,19,20).
What are the key properties of 1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine?
1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine has a molecular weight of 317.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-ethoxy-5-[5-(hydroxymethyl)furan-2-yl]phenyl]guanidine is sourced from PubChem (CID 168603538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).