methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide

C15H22IN3O4 — CID 111063808

IUPACmethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide
SMILESCOC(=O)c1cc(C/N=C(\N)N2CCOCC2)ccc1OC.I
InChIInChI=1S/C15H21N3O4.HI/c1-20-13-4-3-11(9-12(13)14(19)21-2)10-17-15(16)18-5-7-22-8-6-18;/h3-4,9H,5-8,10H2,1-2H3,(H2,16,17);1H
InChIKeyNBSRKUVDAQSUSN-UHFFFAOYSA-N
MW435.26 g/mol
LogP1.25
Rot. Bonds4

About methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide

methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide (PubChem CID 111063808) has the molecular formula C15H22IN3O4 and a molecular weight of 435.26 g/mol. Its IUPAC name is methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide.

Molecular Properties

Compound Namemethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide
PubChem CID111063808
Molecular FormulaC15H22IN3O4
Molecular Weight435.26 g/mol
Exact Mass435.07
IUPAC Namemethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide
SMILESCOC(=O)c1cc(C/N=C(\N)N2CCOCC2)ccc1OC.I
InChIInChI=1S/C15H21N3O4.HI/c1-20-13-4-3-11(9-12(13)14(19)21-2)10-17-15(16)18-5-7-22-8-6-18;/h3-4,9H,5-8,10H2,1-2H3,(H2,16,17);1H
InChIKeyNBSRKUVDAQSUSN-UHFFFAOYSA-N
XLogP1.25
TPSA86.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

methyl 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]benzoate
CID 111024014
N'-[[4-(2-methoxyphenoxy)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111808539
methyl 5-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]-2-methoxybenzoate
CID 110955830
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044863
methyl 5-[[[amino(butylamino)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide
CID 111063804
methyl 5-[[[ethylamino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide
CID 111145941
ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate
CID 111859583
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111040924
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 75534630
methyl 5-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]-2-methoxybenzoate
CID 111063803
3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide
CID 111100464

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide?
The IUPAC name of methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide (CID 111063808) is methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide.
What is the SMILES notation for methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide?
The canonical SMILES for methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide is COC(=O)c1cc(C/N=C(\N)N2CCOCC2)ccc1OC.I.
What is the InChIKey of methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide?
The InChIKey is NBSRKUVDAQSUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4.HI/c1-20-13-4-3-11(9-12(13)14(19)21-2)10-17-15(16)18-5-7-22-8-6-18;/h3-4,9H,5-8,10H2,1-2H3,(H2,16,17);1H.
What are the key properties of methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide?
methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide has a molecular weight of 435.26 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide is sourced from PubChem (CID 111063808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).