tert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate

C13H25N3O3 — CID 167107030

IUPACtert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate
SMILESC=C/N=C(\CNC(=O)OC(C)(C)C)N(C)C(C)OC
InChIInChI=1S/C13H25N3O3/c1-8-14-11(16(6)10(2)18-7)9-15-12(17)19-13(3,4)5/h8,10H,1,9H2,2-7H3,(H,15,17)/b14-11+
InChIKeyVPXUMQJLRDBMFJ-SDNWHVSQSA-N
MW271.36 g/mol
LogP1.98
Rot. Bonds5

About tert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate

tert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate (PubChem CID 167107030) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate
PubChem CID167107030
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nametert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate
SMILESC=C/N=C(\CNC(=O)OC(C)(C)C)N(C)C(C)OC
InChIInChI=1S/C13H25N3O3/c1-8-14-11(16(6)10(2)18-7)9-15-12(17)19-13(3,4)5/h8,10H,1,9H2,2-7H3,(H,15,17)/b14-11+
InChIKeyVPXUMQJLRDBMFJ-SDNWHVSQSA-N
XLogP1.98
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate (CID 167107030) is tert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate is C=C/N=C(\CNC(=O)OC(C)(C)C)N(C)C(C)OC.
What is the InChIKey of tert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate?
The InChIKey is VPXUMQJLRDBMFJ-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-8-14-11(16(6)10(2)18-7)9-15-12(17)19-13(3,4)5/h8,10H,1,9H2,2-7H3,(H,15,17)/b14-11+.
What are the key properties of tert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate?
tert-butyl N-[2-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate has a molecular weight of 271.36 g/mol, XLogP of 1.98, 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-ethenylimino-2-[1-methoxyethyl(methyl)amino]ethyl]carbamate is sourced from PubChem (CID 167107030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).