N-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide

C20H32N4O2 — CID 110955428

IUPACN-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccc(OCCN2CCOCC2)c1)N1CCCC1
InChIInChI=1S/C20H32N4O2/c1-2-21-20(24-8-3-4-9-24)22-17-18-6-5-7-19(16-18)26-15-12-23-10-13-25-14-11-23/h5-7,16H,2-4,8-15,17H2,1H3,(H,21,22)
InChIKeySQXLCFHLWZDCGJ-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.96
Rot. Bonds7

About N-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide

N-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide (PubChem CID 110955428) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide
PubChem CID110955428
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccc(OCCN2CCOCC2)c1)N1CCCC1
InChIInChI=1S/C20H32N4O2/c1-2-21-20(24-8-3-4-9-24)22-17-18-6-5-7-19(16-18)26-15-12-23-10-13-25-14-11-23/h5-7,16H,2-4,8-15,17H2,1H3,(H,21,22)
InChIKeySQXLCFHLWZDCGJ-UHFFFAOYSA-N
XLogP1.96
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.96
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'}

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Related Compounds

1-ethyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415496
1-ethyl-3-(2-methylpropyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111180353
1-cyclopropyl-3-ethyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 75535412
1-ethyl-2-[(3-methylphenyl)methyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111900717
1-ethyl-3-(3-methoxypropyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110973908
1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111607303
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111361577
1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111846149
1-(3-ethoxypropyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111084185
N,N-diethyl-2-[[N-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111009462
1-ethyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111905656
N-ethyl-N'-[(3-hydroxyphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956789

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide (CID 110955428) is N-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide is CCN/C(=N\Cc1cccc(OCCN2CCOCC2)c1)N1CCCC1.
What is the InChIKey of N-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide?
The InChIKey is SQXLCFHLWZDCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-2-21-20(24-8-3-4-9-24)22-17-18-6-5-7-19(16-18)26-15-12-23-10-13-25-14-11-23/h5-7,16H,2-4,8-15,17H2,1H3,(H,21,22).
What are the key properties of N-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide?
N-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide has a molecular weight of 360.50 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110955428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).