N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide

C15H29N3 — CID 111744345

IUPACN-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCCCN/C(=N\C)N1CCC2(CCCCC2)C1
InChIInChI=1S/C15H29N3/c1-3-4-11-17-14(16-2)18-12-10-15(13-18)8-6-5-7-9-15/h3-13H2,1-2H3,(H,16,17)
InChIKeyQYPSFPVQKNJTEQ-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.02
Rot. Bonds3

About N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide

N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 111744345) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID111744345
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCCCN/C(=N\C)N1CCC2(CCCCC2)C1
InChIInChI=1S/C15H29N3/c1-3-4-11-17-14(16-2)18-12-10-15(13-18)8-6-5-7-9-15/h3-13H2,1-2H3,(H,16,17)
InChIKeyQYPSFPVQKNJTEQ-UHFFFAOYSA-N
XLogP3.02
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732993
N-[3-(dimethylamino)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733640
N-(4-ethoxybutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733662
N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744466
N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745057
N'-methyl-N-(3-pyrazol-1-ylpropyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744761
3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide
CID 111744368
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733208
2-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide;hydroiodide
CID 111744212
N'-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745235
N,N'-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744241
N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744615

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide (CID 111744345) is N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide is CCCCN/C(=N\C)N1CCC2(CCCCC2)C1.
What is the InChIKey of N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is QYPSFPVQKNJTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-3-4-11-17-14(16-2)18-12-10-15(13-18)8-6-5-7-9-15/h3-13H2,1-2H3,(H,16,17).
What are the key properties of N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 251.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 111744345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).