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

C15H21N3 — CID 111722895

IUPACN-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H21N3/c1-16-15(17-14-7-8-14)18-10-9-13(11-18)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,16,17)
InChIKeyPVNJBMALNYZFPA-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.21
Rot. Bonds2

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

N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide (PubChem CID 111722895) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
PubChem CID111722895
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
SMILESC/N=C(/NC1CC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H21N3/c1-16-15(17-14-7-8-14)18-10-9-13(11-18)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,16,17)
InChIKeyPVNJBMALNYZFPA-UHFFFAOYSA-N
XLogP2.21
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.21
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-3-phenyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 111723639
N-(2,2-dimethylcyclopropyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 119142523
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
N'-methyl-3-phenyl-N-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722886
N-cyclopropyl-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740907
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-[[2-(methoxymethyl)phenyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723934
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111723019
N'-methyl-N-(2-phenoxyethyl)-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723460
N-[4-(diethylamino)butyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111723251

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
The IUPAC name of N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide (CID 111722895) is N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide is C/N=C(/NC1CC1)N1CCC(c2ccccc2)C1.
What is the InChIKey of N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
The InChIKey is PVNJBMALNYZFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-16-15(17-14-7-8-14)18-10-9-13(11-18)12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3,(H,16,17).
What are the key properties of N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide?
N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide has a molecular weight of 243.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 111722895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).