N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide

C20H33N5 — CID 111745428

IUPACN'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN/C(=N\Cc1ccnc(N(C)C)c1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C20H33N5/c1-4-21-19(23-15-17-8-12-22-18(14-17)24(2)3)25-13-11-20(16-25)9-6-5-7-10-20/h8,12,14H,4-7,9-11,13,15-16H2,1-3H3,(H,21,23)
InChIKeyMTRDUJBGZPQZOR-UHFFFAOYSA-N
MW343.52 g/mol
LogP3.27
Rot. Bonds4

About N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide

N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 111745428) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID111745428
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC NameN'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN/C(=N\Cc1ccnc(N(C)C)c1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C20H33N5/c1-4-21-19(23-15-17-8-12-22-18(14-17)24(2)3)25-13-11-20(16-25)9-6-5-7-10-20/h8,12,14H,4-7,9-11,13,15-16H2,1-3H3,(H,21,23)
InChIKeyMTRDUJBGZPQZOR-UHFFFAOYSA-N
XLogP3.27
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 53.27
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'}

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Related Compounds

N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739593
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110955351
N-ethyl-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733497
(3R)-N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111549862
2-[3-[[[2-azaspiro[4.5]decan-2-yl(ethylamino)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111744542
4-benzyl-N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110959586
N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744333
3-[[[2-azaspiro[4.5]decan-2-yl(ethylamino)methylidene]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 111745316
ethyl 1-[N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156176
4-(1,3-benzodioxol-5-ylmethyl)-N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpiperazine-1-carboximidamide
CID 111189104
3-benzyl-N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 111725251
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727713

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide (CID 111745428) is N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide is CCN/C(=N\Cc1ccnc(N(C)C)c1)N1CCC2(CCCCC2)C1.
What is the InChIKey of N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is MTRDUJBGZPQZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-4-21-19(23-15-17-8-12-22-18(14-17)24(2)3)25-13-11-20(16-25)9-6-5-7-10-20/h8,12,14H,4-7,9-11,13,15-16H2,1-3H3,(H,21,23).
What are the key properties of N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide?
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 343.52 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 111745428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).