2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide

C12H23IN4O2 — CID 120661161

IUPAC2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CC(=O)N2CCCC2)CCO1.I
InChIInChI=1S/C12H22N4O2.HI/c1-10-9-16(6-7-18-10)12(13)14-8-11(17)15-4-2-3-5-15;/h10H,2-9H2,1H3,(H2,13,14);1H
InChIKeyHRSFDRDCPXRGEU-UHFFFAOYSA-N
MW382.25 g/mol
LogP0.26
Rot. Bonds2

About 2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide

2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 120661161) has the molecular formula C12H23IN4O2 and a molecular weight of 382.25 g/mol. Its IUPAC name is 2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID120661161
Molecular FormulaC12H23IN4O2
Molecular Weight382.25 g/mol
Exact Mass382.09
IUPAC Name2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CC(=O)N2CCCC2)CCO1.I
InChIInChI=1S/C12H22N4O2.HI/c1-10-9-16(6-7-18-10)12(13)14-8-11(17)15-4-2-3-5-15;/h10H,2-9H2,1H3,(H2,13,14);1H
InChIKeyHRSFDRDCPXRGEU-UHFFFAOYSA-N
XLogP0.26
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 50.26
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

2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 120661109
N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 111040241
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 120661115
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-ethyl-N-methylacetamide;hydroiodide
CID 120662161
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-(2,2-difluoroethyl)acetamide
CID 120663326
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide
CID 120661382
N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111040316
2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 120661073
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244
N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 122096742
4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide
CID 120661307
1-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 120661703

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide (CID 120661161) is 2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/CC(=O)N2CCCC2)CCO1.I.
What is the InChIKey of 2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is HRSFDRDCPXRGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2.HI/c1-10-9-16(6-7-18-10)12(13)14-8-11(17)15-4-2-3-5-15;/h10H,2-9H2,1H3,(H2,13,14);1H.
What are the key properties of 2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide?
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 382.25 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).