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

C18H30N6 — CID 119145308

IUPACN-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN/C(=N\CCNc1cnccn1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C18H30N6/c1-2-20-17(23-12-11-22-16-14-19-9-10-21-16)24-13-8-18(15-24)6-4-3-5-7-18/h9-10,14H,2-8,11-13,15H2,1H3,(H,20,23)(H,21,22)
InChIKeyPBLVNQBQLNBSCL-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.51
Rot. Bonds5

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

N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 119145308) has the molecular formula C18H30N6 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID119145308
Molecular FormulaC18H30N6
Molecular Weight330.48 g/mol
Exact Mass330.25
IUPAC NameN-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN/C(=N\CCNc1cnccn1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C18H30N6/c1-2-20-17(23-12-11-22-16-14-19-9-10-21-16)24-13-8-18(15-24)6-4-3-5-7-18/h9-10,14H,2-8,11-13,15H2,1H3,(H,20,23)(H,21,22)
InChIKeyPBLVNQBQLNBSCL-UHFFFAOYSA-N
XLogP2.51
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.51
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'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 119145392
N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119115570
N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144359
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744525
N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745157
N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745160
N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744322
N-ethyl-N'-(2-ethylsulfonylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744491
N-ethyl-N'-(2-ethylsulfonylethyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733871
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745179
N-ethyl-N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744855
N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744883

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide (CID 119145308) is N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide is CCN/C(=N\CCNc1cnccn1)N1CCC2(CCCCC2)C1.
What is the InChIKey of N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is PBLVNQBQLNBSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6/c1-2-20-17(23-12-11-22-16-14-19-9-10-21-16)24-13-8-18(15-24)6-4-3-5-7-18/h9-10,14H,2-8,11-13,15H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide?
N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 330.48 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 119145308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).