N-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide

C14H23N3O — CID 61361339

IUPACN-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide
SMILESCc1cc(/C(=N/C2CCCCCC2)NN)c(C)o1
InChIInChI=1S/C14H23N3O/c1-10-9-13(11(2)18-10)14(17-15)16-12-7-5-3-4-6-8-12/h9,12H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyPBIICRWOZMXQPW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.83
Rot. Bonds2

About N-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide

N-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide (PubChem CID 61361339) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide
PubChem CID61361339
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide
SMILESCc1cc(/C(=N/C2CCCCCC2)NN)c(C)o1
InChIInChI=1S/C14H23N3O/c1-10-9-13(11(2)18-10)14(17-15)16-12-7-5-3-4-6-8-12/h9,12H,3-8,15H2,1-2H3,(H,16,17)
InChIKeyPBIICRWOZMXQPW-UHFFFAOYSA-N
XLogP2.83
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.83
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'}

Analyze N-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide?
The IUPAC name of N-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide (CID 61361339) is N-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide.
What is the SMILES notation for N-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide?
The canonical SMILES for N-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide is Cc1cc(/C(=N/C2CCCCCC2)NN)c(C)o1.
What is the InChIKey of N-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide?
The InChIKey is PBIICRWOZMXQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-9-13(11(2)18-10)14(17-15)16-12-7-5-3-4-6-8-12/h9,12H,3-8,15H2,1-2H3,(H,16,17).
What are the key properties of N-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide?
N-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide has a molecular weight of 249.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide is sourced from PubChem (CID 61361339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).