N-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

C16H30IN3O2 — CID 119145297

IUPACN-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1COCCO1)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C16H29N3O2.HI/c1-17-15(18-11-14-12-20-9-10-21-14)19-8-7-16(13-19)5-3-2-4-6-16;/h14H,2-13H2,1H3,(H,17,18);1H
InChIKeyGZNPCRPFRMHYGQ-UHFFFAOYSA-N
MW423.34 g/mol
LogP2.25
Rot. Bonds2

About N-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

N-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (PubChem CID 119145297) has the molecular formula C16H30IN3O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
PubChem CID119145297
Molecular FormulaC16H30IN3O2
Molecular Weight423.34 g/mol
Exact Mass423.14
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1COCCO1)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C16H29N3O2.HI/c1-17-15(18-11-14-12-20-9-10-21-14)19-8-7-16(13-19)5-3-2-4-6-16;/h14H,2-13H2,1H3,(H,17,18);1H
InChIKeyGZNPCRPFRMHYGQ-UHFFFAOYSA-N
XLogP2.25
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 52.25
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(oxolan-3-ylmethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119145377
N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744409
N,N'-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744241
1-(1,4-dioxan-2-ylmethyl)-2-methyl-3-[(1-piperidin-1-ylcyclohexyl)methyl]guanidine;hydroiodide
CID 119131511
2-[[2-azaspiro[4.5]decan-2-yl-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041968
N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745057
N'-methyl-N-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745032
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744934
N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744345
N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732530
N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111996150
2-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119145369

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (CID 119145297) is N-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is C/N=C(\NCC1COCCO1)N1CCC2(CCCCC2)C1.I.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The InChIKey is GZNPCRPFRMHYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.HI/c1-17-15(18-11-14-12-20-9-10-21-14)19-8-7-16(13-19)5-3-2-4-6-16;/h14H,2-13H2,1H3,(H,17,18);1H.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
N-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide has a molecular weight of 423.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 119145297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).