N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide

C11H21N3O3 — CID 119120839

IUPACN'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\CC1(O)CCOCC1)N1CCOCC1
InChIInChI=1S/C11H21N3O3/c12-10(14-3-7-17-8-4-14)13-9-11(15)1-5-16-6-2-11/h15H,1-9H2,(H2,12,13)
InChIKeyUJVMWJPFIFNFHY-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.83
Rot. Bonds2

About N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide

N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide (PubChem CID 119120839) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide
PubChem CID119120839
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\CC1(O)CCOCC1)N1CCOCC1
InChIInChI=1S/C11H21N3O3/c12-10(14-3-7-17-8-4-14)13-9-11(15)1-5-16-6-2-11/h15H,1-9H2,(H2,12,13)
InChIKeyUJVMWJPFIFNFHY-UHFFFAOYSA-N
XLogP-0.83
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
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

N'-[[1-(hydroxymethyl)cyclopropyl]methyl]morpholine-4-carboximidamide
CID 111600999
4-(4-fluorophenyl)-N'-[(4-hydroxyoxan-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111089788
N'-[(1-morpholin-4-ylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120558150
N'-[[1-(difluoromethyl)cyclopropyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 120662401
N'-[(1-methylsulfonylcyclopentyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120973772
N'-[(4-morpholin-4-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 122098612
N'-[[4-(dimethylamino)oxan-4-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111809281
N'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide
CID 120762517
N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038801
N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642
N'-[(1-morpholin-4-ylcyclopropyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120558136
N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 119146937

Frequently Asked Questions

What is the IUPAC name of N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide (CID 119120839) is N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide is N/C(=N\CC1(O)CCOCC1)N1CCOCC1.
What is the InChIKey of N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is UJVMWJPFIFNFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c12-10(14-3-7-17-8-4-14)13-9-11(15)1-5-16-6-2-11/h15H,1-9H2,(H2,12,13).
What are the key properties of N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide?
N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 243.31 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-hydroxyoxan-4-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 119120839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).