N'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide

C17H27N3 — CID 110934133

IUPACN'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCc1c(C)cc(C)cc1C)N1CCCC1
InChIInChI=1S/C17H27N3/c1-13-11-14(2)16(15(3)12-13)7-8-19-17(18-4)20-9-5-6-10-20/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyLLPJTGAMGHZWAQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.83
Rot. Bonds3

About N'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide

N'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide (PubChem CID 110934133) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide
PubChem CID110934133
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCCc1c(C)cc(C)cc1C)N1CCCC1
InChIInChI=1S/C17H27N3/c1-13-11-14(2)16(15(3)12-13)7-8-19-17(18-4)20-9-5-6-10-20/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyLLPJTGAMGHZWAQ-UHFFFAOYSA-N
XLogP2.83
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'-methyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110934410
N-[2-(2,6-dimethylphenoxy)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 110934299
N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 110788028
N'-methyl-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]pyrrolidine-1-carboximidamide
CID 110934843
N-[2-(3-bromo-4-fluorophenyl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 110934328
1-(2-methoxyethyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine;hydroiodide
CID 110940023
ethyl 4-[[N'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111327687
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111465752
1-(3-methoxypropyl)-2-methyl-3-[2-(2,4,6-trimethylphenyl)ethyl]guanidine
CID 110974067
N'-methyl-N-(5-phenylpentyl)pyrrolidine-1-carboximidamide
CID 110935446
N'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide
CID 111466142
N-ethyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 131039665

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide (CID 110934133) is N'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide is C/N=C(/NCCc1c(C)cc(C)cc1C)N1CCCC1.
What is the InChIKey of N'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide?
The InChIKey is LLPJTGAMGHZWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13-11-14(2)16(15(3)12-13)7-8-19-17(18-4)20-9-5-6-10-20/h11-12H,5-10H2,1-4H3,(H,18,19).
What are the key properties of N'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide?
N'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide has a molecular weight of 273.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110934133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).