N-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide

C23H33IN4O — CID 111978501

IUPACN-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1cccc2ccccc12)N1CCC(CN2CCOCC2)C1.I
InChIInChI=1S/C23H32N4O.HI/c1-2-24-23(25-16-21-8-5-7-20-6-3-4-9-22(20)21)27-11-10-19(18-27)17-26-12-14-28-15-13-26;/h3-9,19H,2,10-18H2,1H3,(H,24,25);1H
InChIKeyVLEMSYZBFNKXCF-UHFFFAOYSA-N
MW508.45 g/mol
LogP3.58
Rot. Bonds5

About N-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide

N-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111978501) has the molecular formula C23H33IN4O and a molecular weight of 508.45 g/mol. Its IUPAC name is N-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111978501
Molecular FormulaC23H33IN4O
Molecular Weight508.45 g/mol
Exact Mass508.17
IUPAC NameN-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1cccc2ccccc12)N1CCC(CN2CCOCC2)C1.I
InChIInChI=1S/C23H32N4O.HI/c1-2-24-23(25-16-21-8-5-7-20-6-3-4-9-22(20)21)27-11-10-19(18-27)17-26-12-14-28-15-13-26;/h3-9,19H,2,10-18H2,1H3,(H,24,25);1H
InChIKeyVLEMSYZBFNKXCF-UHFFFAOYSA-N
XLogP3.58
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide
CID 111346485
N'-[(5-cyano-2-fluorophenyl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111997934
N-ethyl-3-(2-methoxyethoxymethyl)-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111747404
N-ethyl-3-morpholin-4-yl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111726854
N-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-N'-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
CID 111367709
N-[2-[[ethylamino-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111998256
1-ethyl-2-(naphthalen-1-ylmethyl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 111978435
N-ethyl-3-morpholin-4-yl-N'-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111727609
N'-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-N-ethyl-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide
CID 109406194
N-ethyl-N'-(naphthalen-1-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207780
4-benzyl-N-ethyl-N'-(3-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111152641
N-ethyl-N'-[[2-(methoxymethyl)phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726109

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111978501) is N-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1cccc2ccccc12)N1CCC(CN2CCOCC2)C1.I.
What is the InChIKey of N-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is VLEMSYZBFNKXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O.HI/c1-2-24-23(25-16-21-8-5-7-20-6-3-4-9-22(20)21)27-11-10-19(18-27)17-26-12-14-28-15-13-26;/h3-9,19H,2,10-18H2,1H3,(H,24,25);1H.
What are the key properties of N-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide?
N-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 508.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111978501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).