N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide

C17H27IN4O2 — CID 111093946

IUPACN'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccnc(OC2CCCCC2)c1)N1CCOCC1
InChIInChI=1S/C17H26N4O2.HI/c18-17(21-8-10-22-11-9-21)20-13-14-6-7-19-16(12-14)23-15-4-2-1-3-5-15;/h6-7,12,15H,1-5,8-11,13H2,(H2,18,20);1H
InChIKeyRUEMQWYMGWGIMO-UHFFFAOYSA-N
MW446.33 g/mol
LogP2.56
Rot. Bonds4

About N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide

N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111093946) has the molecular formula C17H27IN4O2 and a molecular weight of 446.33 g/mol. Its IUPAC name is N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111093946
Molecular FormulaC17H27IN4O2
Molecular Weight446.33 g/mol
Exact Mass446.12
IUPAC NameN'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESI.N/C(=N\Cc1ccnc(OC2CCCCC2)c1)N1CCOCC1
InChIInChI=1S/C17H26N4O2.HI/c18-17(21-8-10-22-11-9-21)20-13-14-6-7-19-16(12-14)23-15-4-2-1-3-5-15;/h6-7,12,15H,1-5,8-11,13H2,(H2,18,20);1H
InChIKeyRUEMQWYMGWGIMO-UHFFFAOYSA-N
XLogP2.56
TPSA72.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 52.56
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'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919958
N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide
CID 75467048
2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine
CID 119121177
N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111041191
N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111041610
1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine
CID 111049934
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine
CID 110925462
1-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111093982
N'-[[3-(oxan-4-yloxymethyl)phenyl]methyl]azepane-1-carboximidamide
CID 86779296
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-phenylethyl)guanidine
CID 111049928
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine
CID 111049940
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111049994

Frequently Asked Questions

What is the IUPAC name of N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 111093946) is N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide is I.N/C(=N\Cc1ccnc(OC2CCCCC2)c1)N1CCOCC1.
What is the InChIKey of N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is RUEMQWYMGWGIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.HI/c18-17(21-8-10-22-11-9-21)20-13-14-6-7-19-16(12-14)23-15-4-2-1-3-5-15;/h6-7,12,15H,1-5,8-11,13H2,(H2,18,20);1H.
What are the key properties of N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 446.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111093946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).