N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide

C16H27N5 — CID 119145336

IUPACN'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCc1cn[nH]c1C)N1CCC2(CCCCC2)C1
InChIInChI=1S/C16H27N5/c1-13-14(11-19-20-13)10-18-15(17-2)21-9-8-16(12-21)6-4-3-5-7-16/h11H,3-10,12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHLOIUICGBOMORR-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.45
Rot. Bonds2

About N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide

N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 119145336) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID119145336
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCc1cn[nH]c1C)N1CCC2(CCCCC2)C1
InChIInChI=1S/C16H27N5/c1-13-14(11-19-20-13)10-18-15(17-2)21-9-8-16(12-21)6-4-3-5-7-16/h11H,3-10,12H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHLOIUICGBOMORR-UHFFFAOYSA-N
XLogP2.45
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.45
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'}

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Related Compounds

N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745214
N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732747
N'-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732872
N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143111
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'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733654
N-[(2,3-dimethoxyphenyl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745038
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733065
N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 109406181
N'-methyl-N-[(2-nitrophenyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733583
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744931

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide (CID 119145336) is N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide is C/N=C(\NCc1cn[nH]c1C)N1CCC2(CCCCC2)C1.
What is the InChIKey of N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is HLOIUICGBOMORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-13-14(11-19-20-13)10-18-15(17-2)21-9-8-16(12-21)6-4-3-5-7-16/h11H,3-10,12H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 289.43 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 119145336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).