propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide

C12H24IN3O3 — CID 110062039

IUPACpropan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide
SMILESCC(C)OC(=O)CCC/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C12H23N3O3.HI/c1-10(2)18-11(16)4-3-5-14-12(13)15-6-8-17-9-7-15;/h10H,3-9H2,1-2H3,(H2,13,14);1H
InChIKeyYPEBIEVOJYCOMC-UHFFFAOYSA-N
MW385.25 g/mol
LogP0.98
Rot. Bonds5

About propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide

propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide (PubChem CID 110062039) has the molecular formula C12H24IN3O3 and a molecular weight of 385.25 g/mol. Its IUPAC name is propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide.

Molecular Properties

Compound Namepropan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide
PubChem CID110062039
Molecular FormulaC12H24IN3O3
Molecular Weight385.25 g/mol
Exact Mass385.09
IUPAC Namepropan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide
SMILESCC(C)OC(=O)CCC/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C12H23N3O3.HI/c1-10(2)18-11(16)4-3-5-14-12(13)15-6-8-17-9-7-15;/h10H,3-9H2,1-2H3,(H2,13,14);1H
InChIKeyYPEBIEVOJYCOMC-UHFFFAOYSA-N
XLogP0.98
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

propan-2-yl 4-[[amino(piperidin-1-yl)methylidene]amino]butanoate;hydroiodide
CID 110062083
methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide
CID 111040526
propan-2-yl 3-[[amino(thiomorpholin-4-yl)methylidene]amino]propanoate;hydroiodide
CID 111037125
cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate
CID 111810896
3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043465
N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740
N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111060330
propan-2-yl 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]propanoate
CID 111037134
ethyl 4-[[amino(piperidin-1-yl)methylidene]amino]butanoate
CID 111025670
N'-(2-ethoxyethyl)morpholine-4-carboximidamide;hydroiodide
CID 111045505
tert-butyl 2-[[amino(morpholin-4-yl)methylidene]amino]acetate;hydroiodide
CID 119146780
methyl 7-[[amino(piperidin-1-yl)methylidene]amino]heptanoate;hydroiodide
CID 111040598

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide?
The IUPAC name of propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide (CID 110062039) is propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide.
What is the SMILES notation for propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide?
The canonical SMILES for propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide is CC(C)OC(=O)CCC/N=C(\N)N1CCOCC1.I.
What is the InChIKey of propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide?
The InChIKey is YPEBIEVOJYCOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3.HI/c1-10(2)18-11(16)4-3-5-14-12(13)15-6-8-17-9-7-15;/h10H,3-9H2,1-2H3,(H2,13,14);1H.
What are the key properties of propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide?
propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide has a molecular weight of 385.25 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide is sourced from PubChem (CID 110062039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).