N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide

C22H34N4O2 — CID 111738824

IUPACN-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(C(=O)N2CC(C)OC(C)C2)cc1)N1CCC(C)(C)C1
InChIInChI=1S/C22H34N4O2/c1-16-13-26(14-17(2)28-16)20(27)19-8-6-18(7-9-19)12-24-21(23-5)25-11-10-22(3,4)15-25/h6-9,16-17H,10-15H2,1-5H3,(H,23,24)
InChIKeyGADULWIRPRZFCI-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.74
Rot. Bonds3

About N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide

N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide (PubChem CID 111738824) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
PubChem CID111738824
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(C(=O)N2CC(C)OC(C)C2)cc1)N1CCC(C)(C)C1
InChIInChI=1S/C22H34N4O2/c1-16-13-26(14-17(2)28-16)20(27)19-8-6-18(7-9-19)12-24-21(23-5)25-11-10-22(3,4)15-25/h6-9,16-17H,10-15H2,1-5H3,(H,23,24)
InChIKeyGADULWIRPRZFCI-UHFFFAOYSA-N
XLogP2.74
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.74
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-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210928
N',3,3-trimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738399
4-[[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111739633
N',3,3-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111738770
N',3,3-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738769
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739127
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739128
N-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738646
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744424
N-tert-butyl-2-[[N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111383828
5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685308
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962382

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide (CID 111738824) is N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide is C/N=C(\NCc1ccc(C(=O)N2CC(C)OC(C)C2)cc1)N1CCC(C)(C)C1.
What is the InChIKey of N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The InChIKey is GADULWIRPRZFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-16-13-26(14-17(2)28-16)20(27)19-8-6-18(7-9-19)12-24-21(23-5)25-11-10-22(3,4)15-25/h6-9,16-17H,10-15H2,1-5H3,(H,23,24).
What are the key properties of N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide has a molecular weight of 386.54 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111738824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).