N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide

C20H36N4 — CID 111745406

IUPACN'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN/C(=N\CC1CCN(C2CC2)C1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C20H36N4/c1-2-21-19(22-14-17-8-12-23(15-17)18-6-7-18)24-13-11-20(16-24)9-4-3-5-10-20/h17-18H,2-16H2,1H3,(H,21,22)
InChIKeyQQLDIZGFYVIXBA-UHFFFAOYSA-N
MW332.54 g/mol
LogP3.09
Rot. Bonds4

About N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide

N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 111745406) has the molecular formula C20H36N4 and a molecular weight of 332.54 g/mol. Its IUPAC name is N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID111745406
Molecular FormulaC20H36N4
Molecular Weight332.54 g/mol
Exact Mass332.29
IUPAC NameN'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN/C(=N\CC1CCN(C2CC2)C1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C20H36N4/c1-2-21-19(22-14-17-8-12-23(15-17)18-6-7-18)24-13-11-20(16-24)9-4-3-5-10-20/h17-18H,2-16H2,1H3,(H,21,22)
InChIKeyQQLDIZGFYVIXBA-UHFFFAOYSA-N
XLogP3.09
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 53.09
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'}

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Related Compounds

N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111740374
N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733879
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744934
N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732430
N-ethyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733132
N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745157
N-ethyl-N'-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733903
N-ethyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733731
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2,2,3,3-tetramethylazetidine-1-carboximidamide;hydroiodide
CID 109454339
N-ethyl-N'-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733902
N-ethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733158
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119145255

Frequently Asked Questions

What is the IUPAC name of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide (CID 111745406) is N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide is CCN/C(=N\CC1CCN(C2CC2)C1)N1CCC2(CCCCC2)C1.
What is the InChIKey of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is QQLDIZGFYVIXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4/c1-2-21-19(22-14-17-8-12-23(15-17)18-6-7-18)24-13-11-20(16-24)9-4-3-5-10-20/h17-18H,2-16H2,1H3,(H,21,22).
What are the key properties of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide?
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 332.54 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 111745406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).