N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

C22H37IN4O2 — CID 111733928

IUPACN-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESI.c1coc(CCN/C(=N\CCCN2CCOCC2)N2CCC3(CCCC3)C2)c1
InChIInChI=1S/C22H36N4O2.HI/c1-2-8-22(7-1)9-13-26(19-22)21(24-11-6-20-5-3-16-28-20)23-10-4-12-25-14-17-27-18-15-25;/h3,5,16H,1-2,4,6-15,17-19H2,(H,23,24);1H
InChIKeyGFNZVNIIYBQWLN-UHFFFAOYSA-N
MW516.47 g/mol
LogP3.37
Rot. Bonds7

About N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (PubChem CID 111733928) has the molecular formula C22H37IN4O2 and a molecular weight of 516.47 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
PubChem CID111733928
Molecular FormulaC22H37IN4O2
Molecular Weight516.47 g/mol
Exact Mass516.20
IUPAC NameN-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESI.c1coc(CCN/C(=N\CCCN2CCOCC2)N2CCC3(CCCC3)C2)c1
InChIInChI=1S/C22H36N4O2.HI/c1-2-8-22(7-1)9-13-26(19-22)21(24-11-6-20-5-3-16-28-20)23-10-4-12-25-14-17-27-18-15-25;/h3,5,16H,1-2,4,6-15,17-19H2,(H,23,24);1H
InChIKeyGFNZVNIIYBQWLN-UHFFFAOYSA-N
XLogP3.37
TPSA53.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(furan-2-yl)ethyl]-3,5-dimethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 111153989
N-[2-(furan-2-yl)ethyl]-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)-1,1-dioxo-1,4-thiazinane-4-carboximidamide;hydroiodide
CID 110059193
N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947333
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111167780
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 111167781
N-[2-(furan-2-yl)ethyl]-3-(morpholin-4-ylmethyl)-N'-(3-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
CID 110056334
ethyl 4-[N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]piperazine-1-carboxylate
CID 111163869
N-[2-(furan-2-yl)ethyl]-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylethyl)azetidine-1-carboximidamide
CID 110057178
4-(cyclopentylmethoxy)-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 110057410
1-cyclopropyl-N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboximidamide;hydroiodide
CID 110060643
methyl 1-[N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111252705
1-butyl-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111159408

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (CID 111733928) is N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is I.c1coc(CCN/C(=N\CCCN2CCOCC2)N2CCC3(CCCC3)C2)c1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The InChIKey is GFNZVNIIYBQWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2.HI/c1-2-8-22(7-1)9-13-26(19-22)21(24-11-6-20-5-3-16-28-20)23-10-4-12-25-14-17-27-18-15-25;/h3,5,16H,1-2,4,6-15,17-19H2,(H,23,24);1H.
What are the key properties of N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide has a molecular weight of 516.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-N'-(3-morpholin-4-ylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111733928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).