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

C18H30N4O — CID 111739740

IUPACN-[[4-(2-methoxyethylamino)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(NCCOC)cc1)N1CCC(C)(C)C1
InChIInChI=1S/C18H30N4O/c1-18(2)9-11-22(14-18)17(19-3)21-13-15-5-7-16(8-6-15)20-10-12-23-4/h5-8,20H,9-14H2,1-4H3,(H,19,21)
InChIKeyJUGFIHZRNLAHDR-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.55
Rot. Bonds6

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

N-[[4-(2-methoxyethylamino)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide (PubChem CID 111739740) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[[4-(2-methoxyethylamino)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethylamino)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
PubChem CID111739740
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-[[4-(2-methoxyethylamino)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(NCCOC)cc1)N1CCC(C)(C)C1
InChIInChI=1S/C18H30N4O/c1-18(2)9-11-22(14-18)17(19-3)21-13-15-5-7-16(8-6-15)20-10-12-23-4/h5-8,20H,9-14H2,1-4H3,(H,19,21)
InChIKeyJUGFIHZRNLAHDR-UHFFFAOYSA-N
XLogP2.55
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-methoxyethylamino)phenyl]methyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745094
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-benzyl-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738646
N-[4-[[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]butanamide
CID 111738049
N',3,3-trimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738483
N-[(3,4-dimethoxyphenyl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739717
N',3,3-trimethyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111739955
N-[(4-cyanophenyl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740325
4-[[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111739633
N',3,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111739118
N',3,3-trimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738773

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethylamino)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-[[4-(2-methoxyethylamino)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide (CID 111739740) is N-[[4-(2-methoxyethylamino)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-[[4-(2-methoxyethylamino)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-[[4-(2-methoxyethylamino)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide is C/N=C(\NCc1ccc(NCCOC)cc1)N1CCC(C)(C)C1.
What is the InChIKey of N-[[4-(2-methoxyethylamino)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
The InChIKey is JUGFIHZRNLAHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-18(2)9-11-22(14-18)17(19-3)21-13-15-5-7-16(8-6-15)20-10-12-23-4/h5-8,20H,9-14H2,1-4H3,(H,19,21).
What are the key properties of N-[[4-(2-methoxyethylamino)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide?
N-[[4-(2-methoxyethylamino)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide has a molecular weight of 318.47 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethylamino)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111739740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).