N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

C19H38IN5 — CID 75468667

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CN(C)CCN1C)N1CCC2(CCC(C)CC2)C1.I
InChIInChI=1S/C19H37N5.HI/c1-16-5-7-19(8-6-16)9-10-24(15-19)18(20-2)21-13-17-14-22(3)11-12-23(17)4;/h16-17H,5-15H2,1-4H3,(H,20,21);1H
InChIKeyFKTWXLSPXAGOSL-UHFFFAOYSA-N
MW463.45 g/mol
LogP2.33
Rot. Bonds2

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (PubChem CID 75468667) has the molecular formula C19H38IN5 and a molecular weight of 463.45 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
PubChem CID75468667
Molecular FormulaC19H38IN5
Molecular Weight463.45 g/mol
Exact Mass463.22
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1CN(C)CCN1C)N1CCC2(CCC(C)CC2)C1.I
InChIInChI=1S/C19H37N5.HI/c1-16-5-7-19(8-6-16)9-10-24(15-19)18(20-2)21-13-17-14-22(3)11-12-23(17)4;/h16-17H,5-15H2,1-4H3,(H,20,21);1H
InChIKeyFKTWXLSPXAGOSL-UHFFFAOYSA-N
XLogP2.33
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.45
LogP ≤ 52.33
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-[(1,4-dimethylpiperazin-2-yl)methyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453870
N'-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744409
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-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744934
N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154391
N'-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733449
1-(3-butoxypropyl)-3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111829389
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
N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733469
N-tert-butyl-2-[[N-[(1,4-dimethylpiperazin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111831743

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (CID 75468667) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is C/N=C(\NCC1CN(C)CCN1C)N1CCC2(CCC(C)CC2)C1.I.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The InChIKey is FKTWXLSPXAGOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5.HI/c1-16-5-7-19(8-6-16)9-10-24(15-19)18(20-2)21-13-17-14-22(3)11-12-23(17)4;/h16-17H,5-15H2,1-4H3,(H,20,21);1H.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide has a molecular weight of 463.45 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-N',8-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 75468667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).