N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide

C17H25N3 — CID 111732747

IUPACN-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESC/N=C(\NCc1ccccc1)N1CCC2(CCCC2)C1
InChIInChI=1S/C17H25N3/c1-18-16(19-13-15-7-3-2-4-8-15)20-12-11-17(14-20)9-5-6-10-17/h2-4,7-8H,5-6,9-14H2,1H3,(H,18,19)
InChIKeyVKUUOAWEZMCJAS-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.03
Rot. Bonds2

About N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide

N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide (PubChem CID 111732747) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide.

Molecular Properties

Compound NameN-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
PubChem CID111732747
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESC/N=C(\NCc1ccccc1)N1CCC2(CCCC2)C1
InChIInChI=1S/C17H25N3/c1-18-16(19-13-15-7-3-2-4-8-15)20-12-11-17(14-20)9-5-6-10-17/h2-4,7-8H,5-6,9-14H2,1H3,(H,18,19)
InChIKeyVKUUOAWEZMCJAS-UHFFFAOYSA-N
XLogP3.03
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738646
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733218
N-[(3-methoxyphenyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732371
N-[(4-cyanophenyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733844
N'-methyl-N-[(4-sulfamoylphenyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732826
4-[[[C-(2-azaspiro[4.4]nonan-2-yl)-N-methylcarbonimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111733382
4-[[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111744431
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744424
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732622
N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732551
N'-methyl-N-(pyridin-2-ylmethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744951
N-(3-anilinopropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733061

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
The IUPAC name of N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide (CID 111732747) is N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide.
What is the SMILES notation for N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
The canonical SMILES for N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide is C/N=C(\NCc1ccccc1)N1CCC2(CCCC2)C1.
What is the InChIKey of N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
The InChIKey is VKUUOAWEZMCJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-18-16(19-13-15-7-3-2-4-8-15)20-12-11-17(14-20)9-5-6-10-17/h2-4,7-8H,5-6,9-14H2,1H3,(H,18,19).
What are the key properties of N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide has a molecular weight of 271.41 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide is sourced from PubChem (CID 111732747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).