4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide

C13H25IN4O3 — CID 120661307

IUPAC4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide
SMILESCC1CN(/C(N)=N/CC2(C(N)=O)CCOCC2)CCO1.I
InChIInChI=1S/C13H24N4O3.HI/c1-10-8-17(4-7-20-10)12(15)16-9-13(11(14)18)2-5-19-6-3-13;/h10H,2-9H2,1H3,(H2,14,18)(H2,15,16);1H
InChIKeyDWFYEPZYAKTFKE-UHFFFAOYSA-N
MW412.27 g/mol
LogP-0.08
Rot. Bonds3

About 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide

4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide (PubChem CID 120661307) has the molecular formula C13H25IN4O3 and a molecular weight of 412.27 g/mol. Its IUPAC name is 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide.

Molecular Properties

Compound Name4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide
PubChem CID120661307
Molecular FormulaC13H25IN4O3
Molecular Weight412.27 g/mol
Exact Mass412.10
IUPAC Name4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide
SMILESCC1CN(/C(N)=N/CC2(C(N)=O)CCOCC2)CCO1.I
InChIInChI=1S/C13H24N4O3.HI/c1-10-8-17(4-7-20-10)12(15)16-9-13(11(14)18)2-5-19-6-3-13;/h10H,2-9H2,1H3,(H2,14,18)(H2,15,16);1H
InChIKeyDWFYEPZYAKTFKE-UHFFFAOYSA-N
XLogP-0.08
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 5-0.08
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 120661703
N'-[(1-methoxycyclopentyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 122096742
2-methyl-N'-[(2-methyloxolan-2-yl)methyl]morpholine-4-carboximidamide
CID 120661826
2-methyl-N'-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboximidamide;hydroiodide
CID 120661161
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-tert-butylacetamide;hydroiodide
CID 120661115
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 120661109
2-[[amino-(2-methylmorpholin-4-yl)methylidene]amino]-N-ethyl-N-methylacetamide;hydroiodide
CID 120662161
N'-[2-(1-hydroxycyclobutyl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120913754
2-methyl-N'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120662093
2-methyl-N'-[(2-methyloxan-4-yl)methyl]morpholine-4-carboximidamide
CID 120662006
N'-(2-methoxy-2-methylpropyl)-2-methylmorpholine-4-carboximidamide
CID 120661722
N'-(cyclobutylmethyl)-2-methylmorpholine-4-carboximidamide
CID 120661244

Frequently Asked Questions

What is the IUPAC name of 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide?
The IUPAC name of 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide (CID 120661307) is 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide.
What is the SMILES notation for 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide?
The canonical SMILES for 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide is CC1CN(/C(N)=N/CC2(C(N)=O)CCOCC2)CCO1.I.
What is the InChIKey of 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide?
The InChIKey is DWFYEPZYAKTFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3.HI/c1-10-8-17(4-7-20-10)12(15)16-9-13(11(14)18)2-5-19-6-3-13;/h10H,2-9H2,1H3,(H2,14,18)(H2,15,16);1H.
What are the key properties of 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide?
4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide has a molecular weight of 412.27 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[amino-(2-methylmorpholin-4-yl)methylidene]amino]methyl]oxane-4-carboxamide;hydroiodide is sourced from PubChem (CID 120661307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).