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

C12H19N3O — CID 61361318

IUPACN-amino-N'-cyclopentyl-2,5-dimethylfuran-3-carboximidamide
SMILESCc1cc(/C(=N/C2CCCC2)NN)c(C)o1
InChIInChI=1S/C12H19N3O/c1-8-7-11(9(2)16-8)12(15-13)14-10-5-3-4-6-10/h7,10H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyMSCGWJWBZGEGHD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.05
Rot. Bonds2

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

N-amino-N'-cyclopentyl-2,5-dimethylfuran-3-carboximidamide (PubChem CID 61361318) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-2,5-dimethylfuran-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-2,5-dimethylfuran-3-carboximidamide
PubChem CID61361318
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-amino-N'-cyclopentyl-2,5-dimethylfuran-3-carboximidamide
SMILESCc1cc(/C(=N/C2CCCC2)NN)c(C)o1
InChIInChI=1S/C12H19N3O/c1-8-7-11(9(2)16-8)12(15-13)14-10-5-3-4-6-10/h7,10H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyMSCGWJWBZGEGHD-UHFFFAOYSA-N
XLogP2.05
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.05
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'-cyclopentyl-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'-cyclopentyl-2,5-dimethylfuran-3-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-2,5-dimethylfuran-3-carboximidamide (CID 61361318) is N-amino-N'-cyclopentyl-2,5-dimethylfuran-3-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-2,5-dimethylfuran-3-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-2,5-dimethylfuran-3-carboximidamide is Cc1cc(/C(=N/C2CCCC2)NN)c(C)o1.
What is the InChIKey of N-amino-N'-cyclopentyl-2,5-dimethylfuran-3-carboximidamide?
The InChIKey is MSCGWJWBZGEGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-7-11(9(2)16-8)12(15-13)14-10-5-3-4-6-10/h7,10H,3-6,13H2,1-2H3,(H,14,15).
What are the key properties of N-amino-N'-cyclopentyl-2,5-dimethylfuran-3-carboximidamide?
N-amino-N'-cyclopentyl-2,5-dimethylfuran-3-carboximidamide has a molecular weight of 221.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-2,5-dimethylfuran-3-carboximidamide is sourced from PubChem (CID 61361318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).