N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide

C20H32N4O2 — CID 111527649

IUPACN'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC1CN(C)CCO1)N1CCC(COCc2ccccc2)C1
InChIInChI=1S/C20H32N4O2/c1-21-20(22-12-19-14-23(2)10-11-26-19)24-9-8-18(13-24)16-25-15-17-6-4-3-5-7-17/h3-7,18-19H,8-16H2,1-2H3,(H,21,22)
InChIKeyKRQONQMDISUBEV-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.43
Rot. Bonds6

About N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide

N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 111527649) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
PubChem CID111527649
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCC1CN(C)CCO1)N1CCC(COCc2ccccc2)C1
InChIInChI=1S/C20H32N4O2/c1-21-20(22-12-19-14-23(2)10-11-26-19)24-9-8-18(13-24)16-25-15-17-6-4-3-5-7-17/h3-7,18-19H,8-16H2,1-2H3,(H,21,22)
InChIKeyKRQONQMDISUBEV-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111525612
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-(methoxymethyl)phenyl]methyl]-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111525681
4-benzyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]piperazine-1-carboximidamide
CID 110959927
N'-methyl-3-(phenylmethoxymethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111527110
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'-methyl-3-(phenylmethoxymethyl)-N-(4-pyrrolidin-1-ylbutyl)pyrrolidine-1-carboximidamide
CID 111526016
N'-methyl-N-[(1-phenylcyclopropyl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111527517
N-(3-ethoxypropyl)-N'-methyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526037

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide (CID 111527649) is N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide is C/N=C(\NCC1CN(C)CCO1)N1CCC(COCc2ccccc2)C1.
What is the InChIKey of N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is KRQONQMDISUBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-21-20(22-12-19-14-23(2)10-11-26-19)24-9-8-18(13-24)16-25-15-17-6-4-3-5-7-17/h3-7,18-19H,8-16H2,1-2H3,(H,21,22).
What are the key properties of N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide?
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 360.50 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111527649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).