tert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate

C13H27N3O3 — CID 19420463

IUPACtert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCCN1CCOCC1
InChIInChI=1S/C13H27N3O3/c1-13(2,3)19-12(17)15-5-4-14-6-7-16-8-10-18-11-9-16/h14H,4-11H2,1-3H3,(H,15,17)
InChIKeyXGLKIMLAQNQQLZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.43
Rot. Bonds6

About tert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate

tert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate (PubChem CID 19420463) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is tert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate
PubChem CID19420463
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Nametert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCCN1CCOCC1
InChIInChI=1S/C13H27N3O3/c1-13(2,3)19-12(17)15-5-4-14-6-7-16-8-10-18-11-9-16/h14H,4-11H2,1-3H3,(H,15,17)
InChIKeyXGLKIMLAQNQQLZ-UHFFFAOYSA-N
XLogP0.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate (CID 19420463) is tert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNCCN1CCOCC1.
What is the InChIKey of tert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate?
The InChIKey is XGLKIMLAQNQQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-13(2,3)19-12(17)15-5-4-14-6-7-16-8-10-18-11-9-16/h14H,4-11H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate?
tert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate has a molecular weight of 273.38 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-morpholin-4-ylethylamino)ethyl]carbamate is sourced from PubChem (CID 19420463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).