N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide

C16H27N5 — CID 111744786

IUPACN-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCCn1ccnc1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C16H27N5/c1-17-15(19-9-12-20-11-8-18-14-20)21-10-7-16(13-21)5-3-2-4-6-16/h8,11,14H,2-7,9-10,12-13H2,1H3,(H,17,19)
InChIKeyYXXVAOSKEPZBPN-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.11
Rot. Bonds3

About N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide

N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 111744786) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID111744786
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCCn1ccnc1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C16H27N5/c1-17-15(19-9-12-20-11-8-18-14-20)21-10-7-16(13-21)5-3-2-4-6-16/h8,11,14H,2-7,9-10,12-13H2,1H3,(H,17,19)
InChIKeyYXXVAOSKEPZBPN-UHFFFAOYSA-N
XLogP2.11
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-imidazol-1-ylethyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739396
N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745057
N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744466
N-(2-imidazol-1-ylethyl)-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109451863
N'-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745370
N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744345
N-(2-imidazol-1-ylethyl)-N'-methyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143155
N'-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 119145392
N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744615
ethyl 1-[N-(2-imidazol-1-ylethyl)-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110994517
N'-methyl-N-[2-(3-methyl-4-pyridinyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 109406181
N,N'-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744241

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide (CID 111744786) is N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide is C/N=C(\NCCn1ccnc1)N1CCC2(CCCCC2)C1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is YXXVAOSKEPZBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-17-15(19-9-12-20-11-8-18-14-20)21-10-7-16(13-21)5-3-2-4-6-16/h8,11,14H,2-7,9-10,12-13H2,1H3,(H,17,19).
What are the key properties of N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 289.43 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 111744786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).