N-amino-N'-cyclohexyl-2-methylfuran-3-carboximidamide

C12H19N3O — CID 61360718

IUPACN-amino-N'-cyclohexyl-2-methylfuran-3-carboximidamide
SMILESCc1occc1/C(=N/C1CCCCC1)NN
InChIInChI=1S/C12H19N3O/c1-9-11(7-8-16-9)12(15-13)14-10-5-3-2-4-6-10/h7-8,10H,2-6,13H2,1H3,(H,14,15)
InChIKeyLYQFVHWTRDMISD-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.13
Rot. Bonds2

About N-amino-N'-cyclohexyl-2-methylfuran-3-carboximidamide

N-amino-N'-cyclohexyl-2-methylfuran-3-carboximidamide (PubChem CID 61360718) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-2-methylfuran-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-2-methylfuran-3-carboximidamide
PubChem CID61360718
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-amino-N'-cyclohexyl-2-methylfuran-3-carboximidamide
SMILESCc1occc1/C(=N/C1CCCCC1)NN
InChIInChI=1S/C12H19N3O/c1-9-11(7-8-16-9)12(15-13)14-10-5-3-2-4-6-10/h7-8,10H,2-6,13H2,1H3,(H,14,15)
InChIKeyLYQFVHWTRDMISD-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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'-cyclohexyl-2-methylfuran-3-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-2-methylfuran-3-carboximidamide (CID 61360718) is N-amino-N'-cyclohexyl-2-methylfuran-3-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-2-methylfuran-3-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-2-methylfuran-3-carboximidamide is Cc1occc1/C(=N/C1CCCCC1)NN.
What is the InChIKey of N-amino-N'-cyclohexyl-2-methylfuran-3-carboximidamide?
The InChIKey is LYQFVHWTRDMISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-11(7-8-16-9)12(15-13)14-10-5-3-2-4-6-10/h7-8,10H,2-6,13H2,1H3,(H,14,15).
What are the key properties of N-amino-N'-cyclohexyl-2-methylfuran-3-carboximidamide?
N-amino-N'-cyclohexyl-2-methylfuran-3-carboximidamide has a molecular weight of 221.30 g/mol, XLogP of 2.13, 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-methylfuran-3-carboximidamide is sourced from PubChem (CID 61360718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).