methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide

C13H26IN3O3 — CID 111040526

IUPACmethyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide
SMILESCOC(=O)CCCCCC/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C13H25N3O3.HI/c1-18-12(17)6-4-2-3-5-7-15-13(14)16-8-10-19-11-9-16;/h2-11H2,1H3,(H2,14,15);1H
InChIKeyFPCHOPGPHHWZNC-UHFFFAOYSA-N
MW399.27 g/mol
LogP1.37
Rot. Bonds7

About methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide

methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide (PubChem CID 111040526) has the molecular formula C13H26IN3O3 and a molecular weight of 399.27 g/mol. Its IUPAC name is methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide.

Molecular Properties

Compound Namemethyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide
PubChem CID111040526
Molecular FormulaC13H26IN3O3
Molecular Weight399.27 g/mol
Exact Mass399.10
IUPAC Namemethyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide
SMILESCOC(=O)CCCCCC/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C13H25N3O3.HI/c1-18-12(17)6-4-2-3-5-7-15-13(14)16-8-10-19-11-9-16;/h2-11H2,1H3,(H2,14,15);1H
InChIKeyFPCHOPGPHHWZNC-UHFFFAOYSA-N
XLogP1.37
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 51.37
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'}

Analyze methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide with MolForge

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Related Compounds

methyl 7-[[amino(piperidin-1-yl)methylidene]amino]heptanoate;hydroiodide
CID 111040598
propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide
CID 110062039
cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate
CID 111810896
methyl 5-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]pentanoate;hydroiodide
CID 111086172
methyl 6-[16-(6-methoxy-6-oxohexanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-6-oxohexanoate
CID 4584644
N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740
N'-[4-(4-ethylpiperazin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111060330
tert-butyl 6-[[amino(piperidin-1-yl)methylidene]amino]hexanoate;hydroiodide
CID 111816215
3-[[amino(morpholin-4-yl)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043465
methyl 5-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]pentanoate
CID 111086175
N'-[4-(diethylamino)butyl]morpholine-4-carboximidamide
CID 111059955
propan-2-yl 4-[[amino(piperidin-1-yl)methylidene]amino]butanoate;hydroiodide
CID 110062083

Frequently Asked Questions

What is the IUPAC name of methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide?
The IUPAC name of methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide (CID 111040526) is methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide.
What is the SMILES notation for methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide?
The canonical SMILES for methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide is COC(=O)CCCCCC/N=C(\N)N1CCOCC1.I.
What is the InChIKey of methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide?
The InChIKey is FPCHOPGPHHWZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3.HI/c1-18-12(17)6-4-2-3-5-7-15-13(14)16-8-10-19-11-9-16;/h2-11H2,1H3,(H2,14,15);1H.
What are the key properties of methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide?
methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide has a molecular weight of 399.27 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide is sourced from PubChem (CID 111040526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).