N-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide

C16H26N4O — CID 111735387

IUPACN-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccccn1)N1CCC(COC)C1
InChIInChI=1S/C16H26N4O/c1-3-17-16(20-11-8-14(12-20)13-21-2)19-10-7-15-6-4-5-9-18-15/h4-6,9,14H,3,7-8,10-13H2,1-2H3,(H,17,19)
InChIKeyUWCLTMKMPQTWEF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.56
Rot. Bonds6

About N-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide

N-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide (PubChem CID 111735387) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide
PubChem CID111735387
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccccn1)N1CCC(COC)C1
InChIInChI=1S/C16H26N4O/c1-3-17-16(20-11-8-14(12-20)13-21-2)19-10-7-15-6-4-5-9-18-15/h4-6,9,14H,3,7-8,10-13H2,1-2H3,(H,17,19)
InChIKeyUWCLTMKMPQTWEF-UHFFFAOYSA-N
XLogP1.56
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.56
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-ethyl-3-(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide
CID 111734077
N-ethyl-3-(methoxymethyl)-N'-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboximidamide
CID 111737547
N-ethyl-3-(methoxymethyl)-N'-(3-phenoxypropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735262
tert-butyl N-[1-[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111729108
N-ethyl-3-(2-methoxyethoxymethyl)-N'-(2-phenylethyl)pyrrolidine-1-carboximidamide
CID 111746227
N-ethyl-N'-(2-methoxyethyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111736890
N-ethyl-4-(4-methoxyphenyl)-N'-(2-pyridin-2-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111242080
N-ethyl-2-(2-methylphenyl)-N'-(2-pyridin-2-ylethyl)morpholine-4-carboximidamide
CID 109479902
N-ethyl-N'-(3-indol-1-ylpropyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111735707
N-ethyl-3-(methoxymethyl)-N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111735168
N-ethyl-3-(methoxymethyl)-N'-(2-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735704
N'-[[2-(ethoxymethyl)phenyl]methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111737297

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide (CID 111735387) is N-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide is CCN/C(=N\CCc1ccccn1)N1CCC(COC)C1.
What is the InChIKey of N-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide?
The InChIKey is UWCLTMKMPQTWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-17-16(20-11-8-14(12-20)13-21-2)19-10-7-15-6-4-5-9-18-15/h4-6,9,14H,3,7-8,10-13H2,1-2H3,(H,17,19).
What are the key properties of N-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide?
N-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide has a molecular weight of 290.41 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(methoxymethyl)-N'-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111735387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).