tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide

C15H33IN4O2 — CID 109377409

IUPACtert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide
SMILESCCCN(CCN=C(NCC)NCC)C(=O)OC(C)(C)C.I
InChIInChI=1S/C15H32N4O2.HI/c1-7-11-19(14(20)21-15(4,5)6)12-10-18-13(16-8-2)17-9-3;/h7-12H2,1-6H3,(H2,16,17,18);1H
InChIKeyQMCKSILORXHRNA-UHFFFAOYSA-N
MW428.36 g/mol
LogP2.83
Rot. Bonds7

About tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide

tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide (PubChem CID 109377409) has the molecular formula C15H33IN4O2 and a molecular weight of 428.36 g/mol. Its IUPAC name is tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide.

Molecular Properties

Compound Nametert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide
PubChem CID109377409
Molecular FormulaC15H33IN4O2
Molecular Weight428.36 g/mol
Exact Mass428.16
IUPAC Nametert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide
SMILESCCCN(CCN=C(NCC)NCC)C(=O)OC(C)(C)C.I
InChIInChI=1S/C15H32N4O2.HI/c1-7-11-19(14(20)21-15(4,5)6)12-10-18-13(16-8-2)17-9-3;/h7-12H2,1-6H3,(H2,16,17,18);1H
InChIKeyQMCKSILORXHRNA-UHFFFAOYSA-N
XLogP2.83
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide?
The IUPAC name of tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide (CID 109377409) is tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide.
What is the SMILES notation for tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide?
The canonical SMILES for tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide is CCCN(CCN=C(NCC)NCC)C(=O)OC(C)(C)C.I.
What is the InChIKey of tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide?
The InChIKey is QMCKSILORXHRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2.HI/c1-7-11-19(14(20)21-15(4,5)6)12-10-18-13(16-8-2)17-9-3;/h7-12H2,1-6H3,(H2,16,17,18);1H.
What are the key properties of tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide?
tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide has a molecular weight of 428.36 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[bis(ethylamino)methylideneamino]ethyl]-N-propylcarbamate;hydroiodide is sourced from PubChem (CID 109377409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).