3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide

C17H32N4O — CID 111744368

IUPAC3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide
SMILESC/N=C(\NCCC(=O)NC(C)C)N1CCC2(CCCCC2)C1
InChIInChI=1S/C17H32N4O/c1-14(2)20-15(22)7-11-19-16(18-3)21-12-10-17(13-21)8-5-4-6-9-17/h14H,4-13H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyGESZUDMRPXOKEA-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.13
Rot. Bonds4

About 3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide

3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide (PubChem CID 111744368) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide
PubChem CID111744368
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide
SMILESC/N=C(\NCCC(=O)NC(C)C)N1CCC2(CCCCC2)C1
InChIInChI=1S/C17H32N4O/c1-14(2)20-15(22)7-11-19-16(18-3)21-12-10-17(13-21)8-5-4-6-9-17/h14H,4-13H2,1-3H3,(H,18,19)(H,20,22)
InChIKeyGESZUDMRPXOKEA-UHFFFAOYSA-N
XLogP2.13
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.13
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'}

Analyze 3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide 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-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744345
N'-methyl-N-[2-(propan-2-ylsulfamoyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 119145354
2-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide;hydroiodide
CID 111744212
N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745057
3-[[C-(3,5-dimethylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide
CID 111153605
3-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111210468
N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733230
N'-methyl-N-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744231
N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744466
2-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119145369
N,N'-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744241
N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733004

Frequently Asked Questions

What is the IUPAC name of 3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide (CID 111744368) is 3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide is C/N=C(\NCCC(=O)NC(C)C)N1CCC2(CCCCC2)C1.
What is the InChIKey of 3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is GESZUDMRPXOKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-14(2)20-15(22)7-11-19-16(18-3)21-12-10-17(13-21)8-5-4-6-9-17/h14H,4-13H2,1-3H3,(H,18,19)(H,20,22).
What are the key properties of 3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide?
3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 308.47 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 111744368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).