N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

C19H33IN4O — CID 111732934

IUPACN'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(c1ccco1)N(C)C)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C19H32N4O.HI/c1-4-20-18(23-12-11-19(15-23)9-5-6-10-19)21-14-16(22(2)3)17-8-7-13-24-17;/h7-8,13,16H,4-6,9-12,14-15H2,1-3H3,(H,20,21);1H
InChIKeyFWDRPHBCZKLWKZ-UHFFFAOYSA-N
MW460.40 g/mol
LogP3.73
Rot. Bonds5

About N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (PubChem CID 111732934) has the molecular formula C19H33IN4O and a molecular weight of 460.40 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
PubChem CID111732934
Molecular FormulaC19H33IN4O
Molecular Weight460.40 g/mol
Exact Mass460.17
IUPAC NameN'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC(c1ccco1)N(C)C)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C19H32N4O.HI/c1-4-20-18(23-12-11-19(15-23)9-5-6-10-19)21-14-16(22(2)3)17-8-7-13-24-17;/h7-8,13,16H,4-6,9-12,14-15H2,1-3H3,(H,20,21);1H
InChIKeyFWDRPHBCZKLWKZ-UHFFFAOYSA-N
XLogP3.73
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
CID 111153162
N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733329
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111301638
N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745157
N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733525
N-ethyl-N'-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111994717
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]-2,2-dimethylthiomorpholine-4-carboximidamide
CID 109488193
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732603
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744525
N'-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111996519
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733246
N-ethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732689

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (CID 111732934) is N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is CCN/C(=N\CC(c1ccco1)N(C)C)N1CCC2(CCCC2)C1.I.
What is the InChIKey of N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The InChIKey is FWDRPHBCZKLWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O.HI/c1-4-20-18(23-12-11-19(15-23)9-5-6-10-19)21-14-16(22(2)3)17-8-7-13-24-17;/h7-8,13,16H,4-6,9-12,14-15H2,1-3H3,(H,20,21);1H.
What are the key properties of N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide has a molecular weight of 460.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111732934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).