N'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide

C18H34N4 — CID 111733471

IUPACN'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESCCC(CN/C(=N\C)N1CCC2(CCCC2)C1)N1CCCC1
InChIInChI=1S/C18H34N4/c1-3-16(21-11-6-7-12-21)14-20-17(19-2)22-13-10-18(15-22)8-4-5-9-18/h16H,3-15H2,1-2H3,(H,19,20)
InChIKeyUNKXDYWCNAUPNG-UHFFFAOYSA-N
MW306.50 g/mol
LogP2.70
Rot. Bonds4

About N'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide

N'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide (PubChem CID 111733471) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is N'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide
PubChem CID111733471
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC NameN'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESCCC(CN/C(=N\C)N1CCC2(CCCC2)C1)N1CCCC1
InChIInChI=1S/C18H34N4/c1-3-16(21-11-6-7-12-21)14-20-17(19-2)22-13-10-18(15-22)8-4-5-9-18/h16H,3-15H2,1-2H3,(H,19,20)
InChIKeyUNKXDYWCNAUPNG-UHFFFAOYSA-N
XLogP2.70
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111996150
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732603
N-butyl-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744345
N-[2-[butan-2-yl(methyl)amino]ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733230
N,N'-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744241
N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745057
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745338
N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732993
N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744466
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733246
N-[3-(dimethylamino)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733640
N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111996231

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
The IUPAC name of N'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide (CID 111733471) is N'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
The canonical SMILES for N'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide is CCC(CN/C(=N\C)N1CCC2(CCCC2)C1)N1CCCC1.
What is the InChIKey of N'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
The InChIKey is UNKXDYWCNAUPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-3-16(21-11-6-7-12-21)14-20-17(19-2)22-13-10-18(15-22)8-4-5-9-18/h16H,3-15H2,1-2H3,(H,19,20).
What are the key properties of N'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
N'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide has a molecular weight of 306.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-pyrrolidin-1-ylbutyl)-2-azaspiro[4.4]nonane-2-carboximidamide is sourced from PubChem (CID 111733471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).