N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

C17H34IN3O — CID 111733004

IUPACN'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCCOCCC(C)C)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C17H33N3O.HI/c1-15(2)6-12-21-13-10-19-16(18-3)20-11-9-17(14-20)7-4-5-8-17;/h15H,4-14H2,1-3H3,(H,18,19);1H
InChIKeyMIFIDPKLSMQHGZ-UHFFFAOYSA-N
MW423.38 g/mol
LogP3.51
Rot. Bonds6

About N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (PubChem CID 111733004) has the molecular formula C17H34IN3O and a molecular weight of 423.38 g/mol. Its IUPAC name is N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
PubChem CID111733004
Molecular FormulaC17H34IN3O
Molecular Weight423.38 g/mol
Exact Mass423.17
IUPAC NameN'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCCOCCC(C)C)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C17H33N3O.HI/c1-15(2)6-12-21-13-10-19-16(18-3)20-11-9-17(14-20)7-4-5-8-17;/h15H,4-14H2,1-3H3,(H,18,19);1H
InChIKeyMIFIDPKLSMQHGZ-UHFFFAOYSA-N
XLogP3.51
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(2-methoxyethoxy)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733208
N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732993
N-(4-ethoxybutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733662
N-(3-cyclopentyloxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732386
N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111145605
N',3,3-trimethyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738685
N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733230
N-[3-(dimethylamino)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733640
N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745057
N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744345
3-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide
CID 111744368
N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111996150

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (CID 111733004) is N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is C/N=C(\NCCOCCC(C)C)N1CCC2(CCCC2)C1.I.
What is the InChIKey of N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The InChIKey is MIFIDPKLSMQHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.HI/c1-15(2)6-12-21-13-10-19-16(18-3)20-11-9-17(14-20)7-4-5-8-17;/h15H,4-14H2,1-3H3,(H,18,19);1H.
What are the key properties of N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide has a molecular weight of 423.38 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111733004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).