N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide

C17H28N6 — CID 119145392

IUPACN'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCCNc1cnccn1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C17H28N6/c1-18-16(22-11-10-21-15-13-19-8-9-20-15)23-12-7-17(14-23)5-3-2-4-6-17/h8-9,13H,2-7,10-12,14H2,1H3,(H,18,22)(H,20,21)
InChIKeyLPTVGDAIPKQVGI-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.12
Rot. Bonds4

About N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide

N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 119145392) has the molecular formula C17H28N6 and a molecular weight of 316.45 g/mol. Its IUPAC name is N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID119145392
Molecular FormulaC17H28N6
Molecular Weight316.45 g/mol
Exact Mass316.24
IUPAC NameN'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCCNc1cnccn1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C17H28N6/c1-18-16(22-11-10-21-15-13-19-8-9-20-15)23-12-7-17(14-23)5-3-2-4-6-17/h8-9,13H,2-7,10-12,14H2,1H3,(H,18,22)(H,20,21)
InChIKeyLPTVGDAIPKQVGI-UHFFFAOYSA-N
XLogP2.12
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 119145308
N'-methyl-3-piperidin-1-yl-N-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide
CID 119142987
N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 109406181
N'-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745370
N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744786
N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 119130984
N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744345
N-(3-anilinopropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733061
N'-methyl-N-(3-pyrazol-1-ylpropyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744761
N'-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733377
N'-methyl-N-(pyridin-2-ylmethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744951
N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745057

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide (CID 119145392) is N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide is C/N=C(\NCCNc1cnccn1)N1CCC2(CCCCC2)C1.
What is the InChIKey of N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is LPTVGDAIPKQVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6/c1-18-16(22-11-10-21-15-13-19-8-9-20-15)23-12-7-17(14-23)5-3-2-4-6-17/h8-9,13H,2-7,10-12,14H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide?
N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 316.45 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 119145392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).