N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide

C18H34N4 — CID 111733469

IUPACN'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESC/N=C(\NCCN1CCCCC1C)N1CCC2(CCCC2)C1
InChIInChI=1S/C18H34N4/c1-16-7-3-6-12-21(16)14-11-20-17(19-2)22-13-10-18(15-22)8-4-5-9-18/h16H,3-15H2,1-2H3,(H,19,20)
InChIKeyYQYKBSQFUBBHMM-UHFFFAOYSA-N
MW306.50 g/mol
LogP2.70
Rot. Bonds3

About N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide

N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide (PubChem CID 111733469) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
PubChem CID111733469
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC NameN'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESC/N=C(\NCCN1CCCCC1C)N1CCC2(CCCC2)C1
InChIInChI=1S/C18H34N4/c1-16-7-3-6-12-21(16)14-11-20-17(19-2)22-13-10-18(15-22)8-4-5-9-18/h16H,3-15H2,1-2H3,(H,19,20)
InChIKeyYQYKBSQFUBBHMM-UHFFFAOYSA-N
XLogP2.70
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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',3,3-trimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111739770
N',3,3-trimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111739769
N',2,2-trimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine-4-carboximidamide
CID 109489855
N',3,3-trimethyl-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboximidamide
CID 111738065
N',4-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111211464
N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745057
N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109444232
N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744466
N-(3-cyclopentyloxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732386
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-[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'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The IUPAC name of N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide (CID 111733469) is N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The canonical SMILES for N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide is C/N=C(\NCCN1CCCCC1C)N1CCC2(CCCC2)C1.
What is the InChIKey of N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The InChIKey is YQYKBSQFUBBHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-16-7-3-6-12-21(16)14-11-20-17(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-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide has a molecular weight of 306.50 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide is sourced from PubChem (CID 111733469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).