N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

C18H35IN4 — CID 111745057

IUPACN'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCCN1CCCCC1)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C18H34N4.HI/c1-19-17(20-11-15-21-12-6-3-7-13-21)22-14-10-18(16-22)8-4-2-5-9-18;/h2-16H2,1H3,(H,19,20);1H
InChIKeyKILBIIMPKLYDIV-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.32
Rot. Bonds3

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

N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (PubChem CID 111745057) has the molecular formula C18H35IN4 and a molecular weight of 434.41 g/mol. Its IUPAC name is N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
PubChem CID111745057
Molecular FormulaC18H35IN4
Molecular Weight434.41 g/mol
Exact Mass434.19
IUPAC NameN'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCCN1CCCCC1)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C18H34N4.HI/c1-19-17(20-11-15-21-12-6-3-7-13-21)22-14-10-18(16-22)8-4-2-5-9-18;/h2-16H2,1H3,(H,19,20);1H
InChIKeyKILBIIMPKLYDIV-UHFFFAOYSA-N
XLogP3.32
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744466
N',3,3-trimethyl-N-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111739653
N'-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745235
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'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733469
N-[3-(dimethylamino)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733640
2-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide;hydroiodide
CID 111744212
N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744786
N,N'-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744241
N'-methyl-N-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745032
N'-methyl-N-(3-pyrazol-1-ylpropyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744761

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (CID 111745057) is N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is C/N=C(\NCCN1CCCCC1)N1CCC2(CCCCC2)C1.I.
What is the InChIKey of N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The InChIKey is KILBIIMPKLYDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4.HI/c1-19-17(20-11-15-21-12-6-3-7-13-21)22-14-10-18(16-22)8-4-2-5-9-18;/h2-16H2,1H3,(H,19,20);1H.
What are the key properties of N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide has a molecular weight of 434.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111745057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).