tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate

C13H26N2O3 — CID 103854463

IUPACtert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate
SMILESC=CCCOCCNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-5-6-10-17-11-9-14-7-8-15-12(16)18-13(2,3)4/h5,14H,1,6-11H2,2-4H3,(H,15,16)
InChIKeyPZJZCRODDPHCRX-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.69
Rot. Bonds9

About tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate

tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate (PubChem CID 103854463) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate
PubChem CID103854463
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate
SMILESC=CCCOCCNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-5-6-10-17-11-9-14-7-8-15-12(16)18-13(2,3)4/h5,14H,1,6-11H2,2-4H3,(H,15,16)
InChIKeyPZJZCRODDPHCRX-UHFFFAOYSA-N
XLogP1.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate (CID 103854463) is tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate is C=CCCOCCNCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate?
The InChIKey is PZJZCRODDPHCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-6-10-17-11-9-14-7-8-15-12(16)18-13(2,3)4/h5,14H,1,6-11H2,2-4H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate?
tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate is sourced from PubChem (CID 103854463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).