N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide

C17H26IN3O2 — CID 111075066

IUPACN'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1CCCOC1c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H25N3O2.HI/c18-17(20-8-11-21-12-9-20)19-13-15-7-4-10-22-16(15)14-5-2-1-3-6-14;/h1-3,5-6,15-16H,4,7-13H2,(H2,18,19);1H
InChIKeyZWZMOFACQWSGEL-UHFFFAOYSA-N
MW431.32 g/mol
LogP2.42
Rot. Bonds3

About N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide

N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111075066) has the molecular formula C17H26IN3O2 and a molecular weight of 431.32 g/mol. Its IUPAC name is N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111075066
Molecular FormulaC17H26IN3O2
Molecular Weight431.32 g/mol
Exact Mass431.11
IUPAC NameN'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1CCCOC1c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H25N3O2.HI/c18-17(20-8-11-21-12-9-20)19-13-15-7-4-10-22-16(15)14-5-2-1-3-6-14;/h1-3,5-6,15-16H,4,7-13H2,(H2,18,19);1H
InChIKeyZWZMOFACQWSGEL-UHFFFAOYSA-N
XLogP2.42
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 52.42
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

4-(4-chlorophenyl)-N'-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboximidamide
CID 111075115
3-methyl-N'-[[2-(4-methylphenyl)oxan-3-yl]methyl]piperidine-1-carboximidamide
CID 111815556
N-ethyl-N'-[(2-phenyloxan-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110956733
N'-[(2-cyclopropylcyclopentyl)methyl]morpholine-4-carboximidamide
CID 122098985
N'-methyl-3-morpholin-4-yl-N-[(2-phenyloxan-3-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111726608
1-(3,5-dimethylphenyl)-2-[(2-phenyloxan-3-yl)methyl]guanidine;hydroiodide
CID 111075070
[(2S,3S)-2-phenyloxan-3-yl]methanamine
CID 51892912
N-ethyl-N'-[(2-phenyloxan-3-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207075
1-cyclobutyl-2-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]guanidine
CID 122095621
1-cyclopentyl-3-ethyl-2-[(2-phenyloxan-3-yl)methyl]guanidine;hydroiodide
CID 110992684
1-butyl-3-ethyl-2-[(2-phenyloxan-3-yl)methyl]guanidine;hydroiodide
CID 111149793
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-[(2-phenyloxan-3-yl)methyl]guanidine
CID 111930632

Frequently Asked Questions

What is the IUPAC name of N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 111075066) is N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\CC1CCCOC1c1ccccc1)N1CCOCC1.
What is the InChIKey of N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is ZWZMOFACQWSGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.HI/c18-17(20-8-11-21-12-9-20)19-13-15-7-4-10-22-16(15)14-5-2-1-3-6-14;/h1-3,5-6,15-16H,4,7-13H2,(H2,18,19);1H.
What are the key properties of N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 431.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111075066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).