N-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide

C11H19N3O — CID 65152644

IUPACN-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide
SMILESCc1oc(C)c(/C(=N/C(C)C)NN)c1C
InChIInChI=1S/C11H19N3O/c1-6(2)13-11(14-12)10-7(3)8(4)15-9(10)5/h6H,12H2,1-5H3,(H,13,14)
InChIKeyOFIZYNUVJMDFKG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.82
Rot. Bonds2

About N-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide

N-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide (PubChem CID 65152644) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide.

Molecular Properties

Compound NameN-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide
PubChem CID65152644
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide
SMILESCc1oc(C)c(/C(=N/C(C)C)NN)c1C
InChIInChI=1S/C11H19N3O/c1-6(2)13-11(14-12)10-7(3)8(4)15-9(10)5/h6H,12H2,1-5H3,(H,13,14)
InChIKeyOFIZYNUVJMDFKG-UHFFFAOYSA-N
XLogP1.82
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.82
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

1-(Diaminomethylidene)-2-[(2,4,5-trimethylfuran-3-yl)methyl]guanidine
CID 23068448
5-(2,5-dimethylfuran-3-yl)-2H-1,2,4-triazole-3(4H)-thione
CID 43164224
N'-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopentanecarboximidamide
CID 55160555
N-amino-N'-tert-butyl-2-methylfuran-3-carboximidamide
CID 61360495
N-amino-N'-cycloheptyl-2-methylfuran-3-carboximidamide
CID 61360525
N-amino-N'-cyclohexyl-2-methylfuran-3-carboximidamide
CID 61360718
N-amino-N',2,5-trimethylfuran-3-carboximidamide
CID 61360852
N-amino-2,5-dimethyl-N'-propylfuran-3-carboximidamide
CID 61360873
N-amino-N'-cyclopropyl-2-methylfuran-3-carboximidamide
CID 61361295
N-amino-N'-tert-butyl-2,5-dimethylfuran-3-carboximidamide
CID 61361309
N-amino-N'-cyclopentyl-2,5-dimethylfuran-3-carboximidamide
CID 61361318
N-amino-N'-cycloheptyl-2,5-dimethylfuran-3-carboximidamide
CID 61361339

Frequently Asked Questions

What is the IUPAC name of N-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide?
The IUPAC name of N-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide (CID 65152644) is N-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide.
What is the SMILES notation for N-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide?
The canonical SMILES for N-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide is Cc1oc(C)c(/C(=N/C(C)C)NN)c1C.
What is the InChIKey of N-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide?
The InChIKey is OFIZYNUVJMDFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-6(2)13-11(14-12)10-7(3)8(4)15-9(10)5/h6H,12H2,1-5H3,(H,13,14).
What are the key properties of N-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide?
N-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide has a molecular weight of 209.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-2,4,5-trimethyl-N'-propan-2-ylfuran-3-carboximidamide is sourced from PubChem (CID 65152644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).