N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide

C13H25IN4O2 — CID 120558150

IUPACN'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(N2CCOCC2)CC1)N1CCOCC1
InChIInChI=1S/C13H24N4O2.HI/c14-12(16-3-7-18-8-4-16)15-11-13(1-2-13)17-5-9-19-10-6-17;/h1-11H2,(H2,14,15);1H
InChIKeyXALVTKWJUQJSRP-UHFFFAOYSA-N
MW396.27 g/mol
LogP0.12
Rot. Bonds3

About N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide

N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120558150) has the molecular formula C13H25IN4O2 and a molecular weight of 396.27 g/mol. Its IUPAC name is N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120558150
Molecular FormulaC13H25IN4O2
Molecular Weight396.27 g/mol
Exact Mass396.10
IUPAC NameN'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1(N2CCOCC2)CC1)N1CCOCC1
InChIInChI=1S/C13H24N4O2.HI/c14-12(16-3-7-18-8-4-16)15-11-13(1-2-13)17-5-9-19-10-6-17;/h1-11H2,(H2,14,15);1H
InChIKeyXALVTKWJUQJSRP-UHFFFAOYSA-N
XLogP0.12
TPSA63.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 50.12
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[(1-morpholin-4-ylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120558136
N'-[(4-morpholin-4-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 122098612
N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 119146937
N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide
CID 119120839
N'-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]piperidine-1-carboximidamide
CID 97311105
N'-[(1-morpholin-4-ylcyclohexyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119117256
N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide
CID 111600999
N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 120662401
N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120973772
N'-[(1-thiomorpholin-4-ylcyclopentyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111067655
N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038801
1-cyclobutyl-2-[(1-morpholin-4-ylcyclopropyl)methyl]guanidine
CID 122095628

Frequently Asked Questions

What is the IUPAC name of N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 120558150) is N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CC1(N2CCOCC2)CC1)N1CCOCC1.
What is the InChIKey of N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is XALVTKWJUQJSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2.HI/c14-12(16-3-7-18-8-4-16)15-11-13(1-2-13)17-5-9-19-10-6-17;/h1-11H2,(H2,14,15);1H.
What are the key properties of N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 396.27 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120558150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).