4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide

C20H31IN4O — CID 111732974

IUPAC4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
SMILESCCN/C(=N\Cc1ccc(C(=O)NC)cc1)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C20H30N4O.HI/c1-3-22-19(24-13-12-20(15-24)10-4-5-11-20)23-14-16-6-8-17(9-7-16)18(25)21-2;/h6-9H,3-5,10-15H2,1-2H3,(H,21,25)(H,22,23);1H
InChIKeyPWXPCLDHEFPENV-UHFFFAOYSA-N
MW470.40 g/mol
LogP3.40
Rot. Bonds4

About 4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide

4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide (PubChem CID 111732974) has the molecular formula C20H31IN4O and a molecular weight of 470.40 g/mol. Its IUPAC name is 4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide.

Molecular Properties

Compound Name4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
PubChem CID111732974
Molecular FormulaC20H31IN4O
Molecular Weight470.40 g/mol
Exact Mass470.15
IUPAC Name4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
SMILESCCN/C(=N\Cc1ccc(C(=O)NC)cc1)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C20H30N4O.HI/c1-3-22-19(24-13-12-20(15-24)10-4-5-11-20)23-14-16-6-8-17(9-7-16)18(25)21-2;/h6-9H,3-5,10-15H2,1-2H3,(H,21,25)(H,22,23);1H
InChIKeyPWXPCLDHEFPENV-UHFFFAOYSA-N
XLogP3.40
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;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

4-[[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111144783
4-[[[ethylamino-(4-methylpiperidin-1-yl)methylidene]amino]methyl]-N-methylbenzamide
CID 111210543
N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745157
N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744333
3-[[[2-azaspiro[4.5]decan-2-yl(ethylamino)methylidene]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 111745316
2-[4-[[[2-azaspiro[4.5]decan-2-yl(ethylamino)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide;hydroiodide
CID 111745323
4-[[[ethylamino-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111731552
2-[3-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]phenoxy]acetamide
CID 111995709
N-ethyl-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733497
N-ethyl-N'-(2-oxo-2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744296
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745428
N'-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739545

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide?
The IUPAC name of 4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide (CID 111732974) is 4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide.
What is the SMILES notation for 4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide?
The canonical SMILES for 4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide is CCN/C(=N\Cc1ccc(C(=O)NC)cc1)N1CCC2(CCCC2)C1.I.
What is the InChIKey of 4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide?
The InChIKey is PWXPCLDHEFPENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O.HI/c1-3-22-19(24-13-12-20(15-24)10-4-5-11-20)23-14-16-6-8-17(9-7-16)18(25)21-2;/h6-9H,3-5,10-15H2,1-2H3,(H,21,25)(H,22,23);1H.
What are the key properties of 4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide?
4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide has a molecular weight of 470.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide is sourced from PubChem (CID 111732974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).