tert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate

C14H26N4O2 — CID 71047050

IUPACtert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate
SMILESC/C=N/C=N/CCC1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C14H26N4O2/c1-5-15-11-16-7-6-12-10-18(9-8-17-12)13(19)20-14(2,3)4/h5,11-12,17H,6-10H2,1-4H3/b15-5+,16-11+
InChIKeyDIWABWYFPGLVJO-SKJRKUQSSA-N
MW282.39 g/mol
LogP1.70
Rot. Bonds4

About tert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate

tert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate (PubChem CID 71047050) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is tert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate
PubChem CID71047050
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Nametert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate
SMILESC/C=N/C=N/CCC1CN(C(=O)OC(C)(C)C)CCN1
InChIInChI=1S/C14H26N4O2/c1-5-15-11-16-7-6-12-10-18(9-8-17-12)13(19)20-14(2,3)4/h5,11-12,17H,6-10H2,1-4H3/b15-5+,16-11+
InChIKeyDIWABWYFPGLVJO-SKJRKUQSSA-N
XLogP1.70
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.70
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate (CID 71047050) is tert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate is C/C=N/C=N/CCC1CN(C(=O)OC(C)(C)C)CCN1.
What is the InChIKey of tert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate?
The InChIKey is DIWABWYFPGLVJO-SKJRKUQSSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-15-11-16-7-6-12-10-18(9-8-17-12)13(19)20-14(2,3)4/h5,11-12,17H,6-10H2,1-4H3/b15-5+,16-11+.
What are the key properties of tert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate?
tert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate has a molecular weight of 282.39 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-[(ethylideneamino)methylideneamino]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 71047050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).