N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide

C18H34N4 — CID 111744615

IUPACN-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN(CCN/C(=N\C)N1CCC2(CCCCC2)C1)C1CC1
InChIInChI=1S/C18H34N4/c1-3-21(16-7-8-16)14-12-20-17(19-2)22-13-11-18(15-22)9-5-4-6-10-18/h16H,3-15H2,1-2H3,(H,19,20)
InChIKeyAVIMARIVSZCRBY-UHFFFAOYSA-N
MW306.50 g/mol
LogP2.70
Rot. Bonds5

About N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide

N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 111744615) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID111744615
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC NameN-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN(CCN/C(=N\C)N1CCC2(CCCCC2)C1)C1CC1
InChIInChI=1S/C18H34N4/c1-3-21(16-7-8-16)14-12-20-17(19-2)22-13-11-18(15-22)9-5-4-6-10-18/h16H,3-15H2,1-2H3,(H,19,20)
InChIKeyAVIMARIVSZCRBY-UHFFFAOYSA-N
XLogP2.70
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 52.70
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-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744345
N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732993
N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733230
N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744466
N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745057
N-[3-(dimethylamino)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733640
N-(4-ethoxybutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733662
N-(2-imidazol-1-ylethyl)-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744786
N,N'-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744241
N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733469
N-(3-cyclopentyloxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732386
N'-methyl-N-[(1-propylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745032

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide (CID 111744615) is N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide is CCN(CCN/C(=N\C)N1CCC2(CCCCC2)C1)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is AVIMARIVSZCRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-3-21(16-7-8-16)14-12-20-17(19-2)22-13-11-18(15-22)9-5-4-6-10-18/h16H,3-15H2,1-2H3,(H,19,20).
What are the key properties of N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide?
N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 306.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(ethyl)amino]ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 111744615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).