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

C13H21N3O — CID 61361742

IUPACN-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide
SMILESCc1cc(/C(=N/C2CCCCC2)NN)c(C)o1
InChIInChI=1S/C13H21N3O/c1-9-8-12(10(2)17-9)13(16-14)15-11-6-4-3-5-7-11/h8,11H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyNGYWXMXZUNDQNP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.44
Rot. Bonds2

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

N-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide (PubChem CID 61361742) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide
PubChem CID61361742
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide
SMILESCc1cc(/C(=N/C2CCCCC2)NN)c(C)o1
InChIInChI=1S/C13H21N3O/c1-9-8-12(10(2)17-9)13(16-14)15-11-6-4-3-5-7-11/h8,11H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyNGYWXMXZUNDQNP-UHFFFAOYSA-N
XLogP2.44
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.44
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

N-amino-N'-cycloheptyl-5-methylfuran-2-carboximidamide
CID 61362940
N-amino-N'-cycloheptyl-6-methyl-4-oxo-1H-pyridine-3-carboximidamide
CID 136812700
cyclohexanamine;2,5-dimethylfuran-3-carboxylic acid
CID 172801054
N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide
CID 61362756
N-amino-N'-cyclopentyl-5-methylthiophene-2-carboximidamide
CID 61360915
N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide
CID 79684408
N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide
CID 61363305
N-amino-N'-cycloheptylpyridine-4-carboximidamide
CID 61361751
N-amino-N'-cyclopentyl-1,3-dihydro-2-benzofuran-5-carboximidamide
CID 63742348
N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide
CID 61362135
N-amino-N'-cyclohexyl-4-fluoro-3-methoxybenzenecarboximidamide
CID 81284145
N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide
CID 62921240

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide (CID 61361742) is N-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide is Cc1cc(/C(=N/C2CCCCC2)NN)c(C)o1.
What is the InChIKey of N-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide?
The InChIKey is NGYWXMXZUNDQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-8-12(10(2)17-9)13(16-14)15-11-6-4-3-5-7-11/h8,11H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of N-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide?
N-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide has a molecular weight of 235.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-2,5-dimethylfuran-3-carboximidamide is sourced from PubChem (CID 61361742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).