1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine

C9H15N5O — CID 138455916

IUPAC1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine
SMILESCc1cocc1CC/N=C(\N)N=C(N)N
InChIInChI=1S/C9H15N5O/c1-6-4-15-5-7(6)2-3-13-9(12)14-8(10)11/h4-5H,2-3H2,1H3,(H6,10,11,12,13,14)
InChIKeyGOHSNXNGBXBTEN-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.28
Rot. Bonds3

About 1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine

1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine (PubChem CID 138455916) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine
PubChem CID138455916
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine
SMILESCc1cocc1CC/N=C(\N)N=C(N)N
InChIInChI=1S/C9H15N5O/c1-6-4-15-5-7(6)2-3-13-9(12)14-8(10)11/h4-5H,2-3H2,1H3,(H6,10,11,12,13,14)
InChIKeyGOHSNXNGBXBTEN-UHFFFAOYSA-N
XLogP-0.28
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 ≤ 5-0.28
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-[(4-tert-butylfuran-3-yl)methyl]-1-(diaminomethylidene)guanidine
CID 69217811
1-(diaminomethylidene)-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 114165563
1-(diaminomethylidene)-2-[2-(4,5,6,7-tetrafluoro-1H-indol-3-yl)ethyl]guanidine
CID 146250137
2-[2-(4-chloro-2-methoxyphenyl)ethyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 162339868
1-[amino-(diaminomethylideneamino)methylidene]-2-(2-phenylethyl)guanidine
CID 154046017
1-(diaminomethylidene)-2-(2-phenylethyl)guanidine;hydron;chloride
CID 657277
1-(diaminomethylidene)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]guanidine;hydrochloride
CID 11971725
2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine
CID 22639468
2-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]-1-(diaminomethylidene)guanidine
CID 516375
2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine
CID 22639457
1-(diaminomethylidene)-2-[(2,4-dimethylphenyl)methyl]guanidine
CID 118455489
1-(diaminomethylidene)-2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydrochloride
CID 11358539

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine (CID 138455916) is 1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine is Cc1cocc1CC/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine?
The InChIKey is GOHSNXNGBXBTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-6-4-15-5-7(6)2-3-13-9(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-[2-(4-methylfuran-3-yl)ethyl]guanidine?
1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine has a molecular weight of 209.25 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(4-methylfuran-3-yl)ethyl]guanidine is sourced from PubChem (CID 138455916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).