N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

C17H33IN4 — CID 111744409

IUPACN'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CCN(C)C1)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C17H32N4.HI/c1-18-16(19-12-15-6-10-20(2)13-15)21-11-9-17(14-21)7-4-3-5-8-17;/h15H,3-14H2,1-2H3,(H,18,19);1H
InChIKeyHPXWVHOUOPSJTD-UHFFFAOYSA-N
MW420.38 g/mol
LogP2.79
Rot. Bonds2

About N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (PubChem CID 111744409) has the molecular formula C17H33IN4 and a molecular weight of 420.38 g/mol. Its IUPAC name is N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
PubChem CID111744409
Molecular FormulaC17H33IN4
Molecular Weight420.38 g/mol
Exact Mass420.17
IUPAC NameN'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CCN(C)C1)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C17H32N4.HI/c1-18-16(19-12-15-6-10-20(2)13-15)21-11-9-17(14-21)7-4-3-5-8-17;/h15H,3-14H2,1-2H3,(H,18,19);1H
InChIKeyHPXWVHOUOPSJTD-UHFFFAOYSA-N
XLogP2.79
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 52.79
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-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744934
N'-methyl-N-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745032
N'-methyl-N-(oxolan-3-ylmethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119145377
N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110933532
N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733449
N',3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490865
N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 75468667
N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745057
N-(1,4-dioxan-2-ylmethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119145297
N-cyclopropyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732530
N-ethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733158
N,N'-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744241

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (CID 111744409) is N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is C/N=C(\NCC1CCN(C)C1)N1CCC2(CCCCC2)C1.I.
What is the InChIKey of N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The InChIKey is HPXWVHOUOPSJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4.HI/c1-18-16(19-12-15-6-10-20(2)13-15)21-11-9-17(14-21)7-4-3-5-8-17;/h15H,3-14H2,1-2H3,(H,18,19);1H.
What are the key properties of N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide has a molecular weight of 420.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111744409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).