N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide

C20H33IN4O — CID 111077954

IUPACN'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCN(Cc1ccccc1C/N=C(\N)N1CCOCC1)C1CCCCC1.I
InChIInChI=1S/C20H32N4O.HI/c1-23(19-9-3-2-4-10-19)16-18-8-6-5-7-17(18)15-22-20(21)24-11-13-25-14-12-24;/h5-8,19H,2-4,9-16H2,1H3,(H2,21,22);1H
InChIKeyFNLCKUNQDTZPDT-UHFFFAOYSA-N
MW472.42 g/mol
LogP3.22
Rot. Bonds5

About N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide

N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111077954) has the molecular formula C20H33IN4O and a molecular weight of 472.42 g/mol. Its IUPAC name is N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111077954
Molecular FormulaC20H33IN4O
Molecular Weight472.42 g/mol
Exact Mass472.17
IUPAC NameN'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCN(Cc1ccccc1C/N=C(\N)N1CCOCC1)C1CCCCC1.I
InChIInChI=1S/C20H32N4O.HI/c1-23(19-9-3-2-4-10-19)16-18-8-6-5-7-17(18)15-22-20(21)24-11-13-25-14-12-24;/h5-8,19H,2-4,9-16H2,1H3,(H2,21,22);1H
InChIKeyFNLCKUNQDTZPDT-UHFFFAOYSA-N
XLogP3.22
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 53.22
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-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111077966
N'-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111802643
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
N'-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111047450
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111053453
N'-[2-[cyclohexyl(methyl)amino]ethyl]morpholine-4-carboximidamide
CID 111057268
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 110919433
2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-propan-2-ylguanidine
CID 111077965
1-tert-butyl-2-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]guanidine
CID 111077961
4-acetyl-N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110964100
N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111036311
2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide
CID 119142484

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide (CID 111077954) is N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide is CN(Cc1ccccc1C/N=C(\N)N1CCOCC1)C1CCCCC1.I.
What is the InChIKey of N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is FNLCKUNQDTZPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O.HI/c1-23(19-9-3-2-4-10-19)16-18-8-6-5-7-17(18)15-22-20(21)24-11-13-25-14-12-24;/h5-8,19H,2-4,9-16H2,1H3,(H2,21,22);1H.
What are the key properties of N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 472.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111077954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).