N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide

C14H21N3 — CID 111722745

IUPACN-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H21N3/c1-3-16-14(15-2)17-10-9-13(11-17)12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,15,16)
InChIKeySHIZXJZPSBQKTK-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.07
Rot. Bonds2

About N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide

N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide (PubChem CID 111722745) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
PubChem CID111722745
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
SMILESCCN/C(=N\C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C14H21N3/c1-3-16-14(15-2)17-10-9-13(11-17)12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,15,16)
InChIKeySHIZXJZPSBQKTK-UHFFFAOYSA-N
XLogP2.07
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.07
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-ethyl-N'-(2-hydroxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111990952
N'-methyl-3-phenyl-N-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722886
N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722895
N-[4-(diethylamino)butyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111723251
N-(2-butoxyethyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111724061
N-(3-ethoxypropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723410
N-[[2-(methoxymethyl)phenyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723934
N'-methyl-3-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111724300
N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 119155019
N'-methyl-3-phenyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111992856
N'-methyl-N-(2-phenoxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723460
N'-methyl-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111723824

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide (CID 111722745) is N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide is CCN/C(=N\C)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
The InChIKey is SHIZXJZPSBQKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-16-14(15-2)17-10-9-13(11-17)12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide has a molecular weight of 231.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111722745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).