N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide

C22H34IN5O2 — CID 110058005

About N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide

N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 110058005) has the molecular formula C22H34IN5O2 and a molecular weight of 527.45 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

• Compound Name: N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide
• PubChem CID: 110058005
• Molecular Formula: C22H34IN5O2
• Molecular Weight: 527.45 g/mol
• Exact Mass: 527.18
• IUPAC Name: N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide
• SMILES: Cn1cc(C2CN(/C(=N/CC3CCCCC3)NCCc3ccco3)CCO2)cn1.I
• InChI: InChI=1S/C22H33N5O2.HI/c1-26-16-19(15-25-26)21-17-27(11-13-29-21)22(23-10-9-20-8-5-12-28-20)24-14-18-6-3-2-4-7-18;/h5,8,12,15-16,18,21H,2-4,6-7,9-11,13-14,17H2,1H3,(H,23,24);1H
• InChIKey: VNIPOSUIAVXNQK-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 67.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.45
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide?

The IUPAC name of N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide (CID 110058005) is N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide.

What is the SMILES notation for N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide?

The canonical SMILES for N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide is Cn1cc(C2CN(/C(=N/CC3CCCCC3)NCCc3ccco3)CCO2)cn1.I.

What is the InChIKey of N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide?

The InChIKey is VNIPOSUIAVXNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2.HI/c1-26-16-19(15-25-26)21-17-27(11-13-29-21)22(23-10-9-20-8-5-12-28-20)24-14-18-6-3-2-4-7-18;/h5,8,12,15-16,18,21H,2-4,6-7,9-11,13-14,17H2,1H3,(H,23,24);1H.

What are the key properties of N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide?

N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 527.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(cyclohexylmethyl)-N-[2-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 110058005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).