N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide

C24H31N3O — CID 111527517

IUPACN'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCC1(c2ccccc2)CC1)N1CCC(COCc2ccccc2)C1
InChIInChI=1S/C24H31N3O/c1-25-23(26-19-24(13-14-24)22-10-6-3-7-11-22)27-15-12-21(16-27)18-28-17-20-8-4-2-5-9-20/h2-11,21H,12-19H2,1H3,(H,25,26)
InChIKeyOAJSKRUWWKPXPK-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.83
Rot. Bonds7

About N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide

N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 111527517) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
PubChem CID111527517
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCC1(c2ccccc2)CC1)N1CCC(COCc2ccccc2)C1
InChIInChI=1S/C24H31N3O/c1-25-23(26-19-24(13-14-24)22-10-6-3-7-11-22)27-15-12-21(16-27)18-28-17-20-8-4-2-5-9-20/h2-11,21H,12-19H2,1H3,(H,25,26)
InChIKeyOAJSKRUWWKPXPK-UHFFFAOYSA-N
XLogP3.83
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111525711
N-(2-methoxyethyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111526973
N-(2,2-dimethylcyclopropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 119139796
N-[[2-(methoxymethyl)phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111525681
N-(2-ethylbutyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111985276
N-[(4-methoxyphenyl)methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111526725
N-[[4-(ethoxymethyl)phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526281
N-(3-ethoxypropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526037
N-(4-ethoxybutyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111525695
N'-methyl-3-(phenylmethoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111525610
N-[[4-(dimethylamino)phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526218
N'-methyl-3-(phenylmethoxymethyl)-N-(4-pyrrolidin-1-ylbutyl)pyrrolidine-1-carboximidamide
CID 111526016

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide (CID 111527517) is N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide is C/N=C(/NCC1(c2ccccc2)CC1)N1CCC(COCc2ccccc2)C1.
What is the InChIKey of N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is OAJSKRUWWKPXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-25-23(26-19-24(13-14-24)22-10-6-3-7-11-22)27-15-12-21(16-27)18-28-17-20-8-4-2-5-9-20/h2-11,21H,12-19H2,1H3,(H,25,26).
What are the key properties of N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide?
N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 377.53 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111527517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).