1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine

C9H15N5O — CID 23068449

IUPAC1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine
SMILESCCc1cocc1C/N=C(\N)N=C(N)N
InChIInChI=1S/C9H15N5O/c1-2-6-4-15-5-7(6)3-13-9(12)14-8(10)11/h4-5H,2-3H2,1H3,(H6,10,11,12,13,14)
InChIKeyQDEXVSWFYFLUNC-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.07
Rot. Bonds3

About 1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine

1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine (PubChem CID 23068449) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine
PubChem CID23068449
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine
SMILESCCc1cocc1C/N=C(\N)N=C(N)N
InChIInChI=1S/C9H15N5O/c1-2-6-4-15-5-7(6)3-13-9(12)14-8(10)11/h4-5H,2-3H2,1H3,(H6,10,11,12,13,14)
InChIKeyQDEXVSWFYFLUNC-UHFFFAOYSA-N
XLogP-0.07
TPSA115.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2,2,2-Trifluoro-1-(4-methylfuran-3-yl)ethanamine
CID 126971495
(1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine
CID 131057031
1-(4-Methylfuran-3-yl)ethanamine
CID 18519007
1-(Diaminomethylidene)-2-[(5-ethylfuran-3-yl)methyl]guanidine
CID 23068444
1-(Diaminomethylidene)-2-[(2-methylfuran-3-yl)methyl]guanidine
CID 23068446
1-(Diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine
CID 23068448
1-(Diaminomethylidene)-2-[(5-methylfuran-3-yl)methyl]guanidine
CID 23068451
1-(Diaminomethylidene)-2-[(2,4-dimethylfuran-3-yl)methyl]guanidine
CID 23068452
1-(Diaminomethylidene)-2-[(2-ethylfuran-3-yl)methyl]guanidine
CID 23068455
1-(Diaminomethylidene)-2-[(4,5-dimethylfuran-3-yl)methyl]guanidine
CID 23068457
1-(Diaminomethylidene)-2-[(2,5-dimethylfuran-3-yl)methyl]guanidine
CID 23068458
1-(Diaminomethylidene)-2-[(4-methylfuran-3-yl)methyl]guanidine
CID 23068459

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine (CID 23068449) is 1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine is CCc1cocc1C/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine?
The InChIKey is QDEXVSWFYFLUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-2-6-4-15-5-7(6)3-13-9(12)14-8(10)11/h4-5H,2-3H2,1H3,(H6,10,11,12,13,14).
What are the key properties of 1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine?
1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine has a molecular weight of 209.25 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[(4-ethylfuran-3-yl)methyl]guanidine is sourced from PubChem (CID 23068449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).