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

C11H20N2O2 — CID 115866342

IUPACtert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate
SMILESCC#CCNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-5-6-7-12-8-9-13-10(14)15-11(2,3)4/h12H,7-9H2,1-4H3,(H,13,14)
InChIKeyVXTQTDQUBBBZKH-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.12
Rot. Bonds4

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

tert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate (PubChem CID 115866342) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is tert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate
PubChem CID115866342
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nametert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate
SMILESCC#CCNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-5-6-7-12-8-9-13-10(14)15-11(2,3)4/h12H,7-9H2,1-4H3,(H,13,14)
InChIKeyVXTQTDQUBBBZKH-UHFFFAOYSA-N
XLogP1.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(pent-3-ynylamino)ethyl]carbamate
CID 116643280
tert-butyl N-[2-(propylamino)ethyl]carbamate
CID 14925149
tert-butyl N-[4-(butylamino)but-2-ynyl]carbamate
CID 155407048
tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate
CID 115614738
tert-butyl N-[3-(but-2-ynoylamino)propyl]carbamate
CID 178120004
tert-butyl N-[2-(2,2,3-trimethylbutylamino)ethyl]carbamate
CID 102610042
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346
tert-butyl N-[2-(3-hydroxybutylamino)ethyl]carbamate
CID 115628927
[2-methyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-oxopropan-2-yl] acetate
CID 118210622
methyl N-[2-(prop-2-ynylamino)ethyl]carbamate
CID 89315240
tert-butyl N-[2-(methylamino)ethyl]carbamate;molecular hydrogen
CID 144504271

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate (CID 115866342) is tert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate is CC#CCNCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate?
The InChIKey is VXTQTDQUBBBZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-6-7-12-8-9-13-10(14)15-11(2,3)4/h12H,7-9H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate?
tert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate has a molecular weight of 212.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(but-2-ynylamino)ethyl]carbamate is sourced from PubChem (CID 115866342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).