tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide

C15H31IN4O3 — CID 109377926

IUPACtert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide
SMILESCCCN(CC/N=C(\N)N1CCOCC1)C(=O)OC(C)(C)C.I
InChIInChI=1S/C15H30N4O3.HI/c1-5-7-19(14(20)22-15(2,3)4)8-6-17-13(16)18-9-11-21-12-10-18;/h5-12H2,1-4H3,(H2,16,17);1H
InChIKeyKBKLDYQGISEFQF-UHFFFAOYSA-N
MW442.34 g/mol
LogP1.90
Rot. Bonds5

About tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide

tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide (PubChem CID 109377926) has the molecular formula C15H31IN4O3 and a molecular weight of 442.34 g/mol. Its IUPAC name is tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide.

Molecular Properties

Compound Nametert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide
PubChem CID109377926
Molecular FormulaC15H31IN4O3
Molecular Weight442.34 g/mol
Exact Mass442.14
IUPAC Nametert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide
SMILESCCCN(CC/N=C(\N)N1CCOCC1)C(=O)OC(C)(C)C.I
InChIInChI=1S/C15H30N4O3.HI/c1-5-7-19(14(20)22-15(2,3)4)8-6-17-13(16)18-9-11-21-12-10-18;/h5-12H2,1-4H3,(H2,16,17);1H
InChIKeyKBKLDYQGISEFQF-UHFFFAOYSA-N
XLogP1.90
TPSA80.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide?
The IUPAC name of tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide (CID 109377926) is tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide.
What is the SMILES notation for tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide?
The canonical SMILES for tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide is CCCN(CC/N=C(\N)N1CCOCC1)C(=O)OC(C)(C)C.I.
What is the InChIKey of tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide?
The InChIKey is KBKLDYQGISEFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3.HI/c1-5-7-19(14(20)22-15(2,3)4)8-6-17-13(16)18-9-11-21-12-10-18;/h5-12H2,1-4H3,(H2,16,17);1H.
What are the key properties of tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide?
tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide has a molecular weight of 442.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-N-propylcarbamate;hydroiodide is sourced from PubChem (CID 109377926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).