tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate

C9H21N3O3 — CID 150569720

IUPACtert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate
SMILESCC(C)(C)OC(=O)NNCCOCCN
InChIInChI=1S/C9H21N3O3/c1-9(2,3)15-8(13)12-11-5-7-14-6-4-10/h11H,4-7,10H2,1-3H3,(H,12,13)
InChIKeyILOXUMCKCRDUIZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.01
Rot. Bonds6

About tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate

tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate (PubChem CID 150569720) has the molecular formula C9H21N3O3 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate
PubChem CID150569720
Molecular FormulaC9H21N3O3
Molecular Weight219.28 g/mol
Exact Mass219.16
IUPAC Nametert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate
SMILESCC(C)(C)OC(=O)NNCCOCCN
InChIInChI=1S/C9H21N3O3/c1-9(2,3)15-8(13)12-11-5-7-14-6-4-10/h11H,4-7,10H2,1-3H3,(H,12,13)
InChIKeyILOXUMCKCRDUIZ-UHFFFAOYSA-N
XLogP-0.01
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxycarbonylamino]ethoxy]ethoxy]ethyl]carbamate
CID 138695989
tert-butyl N-(2-methoxyethylamino)carbamate
CID 87253859
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 166851289
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethoxy]propanoate
CID 159291987
tert-butyl N-[2-[2-[2-(3-aminopropanoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 166726831
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078361
tert-butyl 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078415
tert-butyl N-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 11046862
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate?
The IUPAC name of tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate (CID 150569720) is tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate is CC(C)(C)OC(=O)NNCCOCCN.
What is the InChIKey of tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate?
The InChIKey is ILOXUMCKCRDUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O3/c1-9(2,3)15-8(13)12-11-5-7-14-6-4-10/h11H,4-7,10H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate?
tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate has a molecular weight of 219.28 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate is sourced from PubChem (CID 150569720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).