2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide

C14H27IN4O2 — CID 119142484

IUPAC2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide
SMILESCN(C(=O)C/N=C(\N)N1CCOCC1)C1CCCCC1.I
InChIInChI=1S/C14H26N4O2.HI/c1-17(12-5-3-2-4-6-12)13(19)11-16-14(15)18-7-9-20-10-8-18;/h12H,2-11H2,1H3,(H2,15,16);1H
InChIKeyBAQXNOQVENRFIW-UHFFFAOYSA-N
MW410.30 g/mol
LogP1.04
Rot. Bonds3

About 2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide

2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide (PubChem CID 119142484) has the molecular formula C14H27IN4O2 and a molecular weight of 410.30 g/mol. Its IUPAC name is 2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide
PubChem CID119142484
Molecular FormulaC14H27IN4O2
Molecular Weight410.30 g/mol
Exact Mass410.12
IUPAC Name2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide
SMILESCN(C(=O)C/N=C(\N)N1CCOCC1)C1CCCCC1.I
InChIInChI=1S/C14H26N4O2.HI/c1-17(12-5-3-2-4-6-12)13(19)11-16-14(15)18-7-9-20-10-8-18;/h12H,2-11H2,1H3,(H2,15,16);1H
InChIKeyBAQXNOQVENRFIW-UHFFFAOYSA-N
XLogP1.04
TPSA71.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 51.04
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-[[amino(azepan-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119164080
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide
CID 119142472
N'-[2-[cyclohexyl(methyl)amino]ethyl]morpholine-4-carboximidamide
CID 111057268
1-cyclopropyl-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)guanidine;hydroiodide
CID 110031903
2-[[amino(morpholin-4-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111819646
N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 111040241
N'-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077954
tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide
CID 119146780
N'-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111807627
2-[[amino(piperidin-1-yl)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111819691
1-cyclohexyl-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea
CID 67489629
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-ethyl-N-methylacetamide;hydroiodide
CID 120662161

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide?
The IUPAC name of 2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide (CID 119142484) is 2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide is CN(C(=O)C/N=C(\N)N1CCOCC1)C1CCCCC1.I.
What is the InChIKey of 2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide?
The InChIKey is BAQXNOQVENRFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2.HI/c1-17(12-5-3-2-4-6-12)13(19)11-16-14(15)18-7-9-20-10-8-18;/h12H,2-11H2,1H3,(H2,15,16);1H.
What are the key properties of 2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide?
2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide has a molecular weight of 410.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide is sourced from PubChem (CID 119142484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).