N-amino-N',2,5-trimethylfuran-3-carboximidamide

C8H13N3O — CID 61360852

IUPACN-amino-N',2,5-trimethylfuran-3-carboximidamide
SMILESC/N=C(\NN)c1cc(C)oc1C
InChIInChI=1S/C8H13N3O/c1-5-4-7(6(2)12-5)8(10-3)11-9/h4H,9H2,1-3H3,(H,10,11)
InChIKeyOJIFQXQAMBAZIS-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.74
Rot. Bonds1

About N-amino-N',2,5-trimethylfuran-3-carboximidamide

N-amino-N',2,5-trimethylfuran-3-carboximidamide (PubChem CID 61360852) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-amino-N',2,5-trimethylfuran-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N',2,5-trimethylfuran-3-carboximidamide
PubChem CID61360852
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-amino-N',2,5-trimethylfuran-3-carboximidamide
SMILESC/N=C(\NN)c1cc(C)oc1C
InChIInChI=1S/C8H13N3O/c1-5-4-7(6(2)12-5)8(10-3)11-9/h4H,9H2,1-3H3,(H,10,11)
InChIKeyOJIFQXQAMBAZIS-UHFFFAOYSA-N
XLogP0.74
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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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Related Compounds

2-[[5-Methyl-2-(trifluoromethyl)furan-3-yl]methyl]guanidine
CID 59852201
2-(2,5-dimethylfuran-3-yl)-4,5-dihydro-1H-imidazole
CID 14964721
3-(2,5-dimethylfuran-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 18408625
1-(Diaminomethylidene)-2-[(5-ethylfuran-3-yl)methyl]guanidine
CID 23068444
1-(Diaminomethylidene)-2-[(5-methylfuran-3-yl)methyl]guanidine
CID 23068451
1-(Diaminomethylidene)-2-[(2-ethylfuran-3-yl)methyl]guanidine
CID 23068455
1-(Diaminomethylidene)-2-[(2,5-dimethylfuran-3-yl)methyl]guanidine
CID 23068458
2,5-Dimethylfuran-3-carboximidamide hydrochloride
CID 42614713
4-Amino-5-(2,5-dimethyl-furan-3-yl)-4H-[1,2,4]triazole-3-thiol
CID 43149283
5-(2,5-dimethylfuran-3-yl)-2H-1,2,4-triazole-3(4H)-thione
CID 43164224
2-[(2,5-Dimethylfuran-3-yl)methyl]guanidine
CID 58146131
N-amino-N',3-dimethylfuran-2-carboximidamide
CID 61361042

Frequently Asked Questions

What is the IUPAC name of N-amino-N',2,5-trimethylfuran-3-carboximidamide?
The IUPAC name of N-amino-N',2,5-trimethylfuran-3-carboximidamide (CID 61360852) is N-amino-N',2,5-trimethylfuran-3-carboximidamide.
What is the SMILES notation for N-amino-N',2,5-trimethylfuran-3-carboximidamide?
The canonical SMILES for N-amino-N',2,5-trimethylfuran-3-carboximidamide is C/N=C(\NN)c1cc(C)oc1C.
What is the InChIKey of N-amino-N',2,5-trimethylfuran-3-carboximidamide?
The InChIKey is OJIFQXQAMBAZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-4-7(6(2)12-5)8(10-3)11-9/h4H,9H2,1-3H3,(H,10,11).
What are the key properties of N-amino-N',2,5-trimethylfuran-3-carboximidamide?
N-amino-N',2,5-trimethylfuran-3-carboximidamide has a molecular weight of 167.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N',2,5-trimethylfuran-3-carboximidamide is sourced from PubChem (CID 61360852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).