N-amino-N',2-dimethylfuran-3-carboximidamide

C7H11N3O — CID 61376953

IUPACN-amino-N',2-dimethylfuran-3-carboximidamide
SMILESC/N=C(\NN)c1ccoc1C
InChIInChI=1S/C7H11N3O/c1-5-6(3-4-11-5)7(9-2)10-8/h3-4H,8H2,1-2H3,(H,9,10)
InChIKeyNGHSMLUEMDOXAC-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.43
Rot. Bonds1

About N-amino-N',2-dimethylfuran-3-carboximidamide

N-amino-N',2-dimethylfuran-3-carboximidamide (PubChem CID 61376953) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N-amino-N',2-dimethylfuran-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N',2-dimethylfuran-3-carboximidamide
PubChem CID61376953
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN-amino-N',2-dimethylfuran-3-carboximidamide
SMILESC/N=C(\NN)c1ccoc1C
InChIInChI=1S/C7H11N3O/c1-5-6(3-4-11-5)7(9-2)10-8/h3-4H,8H2,1-2H3,(H,9,10)
InChIKeyNGHSMLUEMDOXAC-UHFFFAOYSA-N
XLogP0.43
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.43
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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Frequently Asked Questions

What is the IUPAC name of N-amino-N',2-dimethylfuran-3-carboximidamide?
The IUPAC name of N-amino-N',2-dimethylfuran-3-carboximidamide (CID 61376953) is N-amino-N',2-dimethylfuran-3-carboximidamide.
What is the SMILES notation for N-amino-N',2-dimethylfuran-3-carboximidamide?
The canonical SMILES for N-amino-N',2-dimethylfuran-3-carboximidamide is C/N=C(\NN)c1ccoc1C.
What is the InChIKey of N-amino-N',2-dimethylfuran-3-carboximidamide?
The InChIKey is NGHSMLUEMDOXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-6(3-4-11-5)7(9-2)10-8/h3-4H,8H2,1-2H3,(H,9,10).
What are the key properties of N-amino-N',2-dimethylfuran-3-carboximidamide?
N-amino-N',2-dimethylfuran-3-carboximidamide has a molecular weight of 153.18 g/mol, XLogP of 0.43, 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-dimethylfuran-3-carboximidamide is sourced from PubChem (CID 61376953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).