N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide

C15H29N3O — CID 111732993

IUPACN-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESCCOCCCN/C(=N\C)N1CCC2(CCCC2)C1
InChIInChI=1S/C15H29N3O/c1-3-19-12-6-10-17-14(16-2)18-11-9-15(13-18)7-4-5-8-15/h3-13H2,1-2H3,(H,16,17)
InChIKeyPTOOOQVQWGVFDD-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.25
Rot. Bonds5

About N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide

N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide (PubChem CID 111732993) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
PubChem CID111732993
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESCCOCCCN/C(=N\C)N1CCC2(CCCC2)C1
InChIInChI=1S/C15H29N3O/c1-3-19-12-6-10-17-14(16-2)18-11-9-15(13-18)7-4-5-8-15/h3-13H2,1-2H3,(H,16,17)
InChIKeyPTOOOQVQWGVFDD-UHFFFAOYSA-N
XLogP2.25
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.25
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'}

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Related Compounds

N-(4-ethoxybutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733662
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733208
N-(3-ethoxypropyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739025
N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744345
N-(3-cyclopentyloxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732386
2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111744356
N-[3-(dimethylamino)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733640
N'-(4-ethoxybutyl)-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733162
N'-methyl-N-[2-(3-methylbutoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733004
N-(2-ethoxyethyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111738667
N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744466
N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744615

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
The IUPAC name of N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide (CID 111732993) is N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
The canonical SMILES for N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide is CCOCCCN/C(=N\C)N1CCC2(CCCC2)C1.
What is the InChIKey of N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
The InChIKey is PTOOOQVQWGVFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-19-12-6-10-17-14(16-2)18-11-9-15(13-18)7-4-5-8-15/h3-13H2,1-2H3,(H,16,17).
What are the key properties of N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide?
N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide has a molecular weight of 267.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide is sourced from PubChem (CID 111732993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).