tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate

C9H19N5O2 — CID 152561182

IUPACtert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCCN=[N+]=[N-]
InChIInChI=1S/C9H19N5O2/c1-9(2,3)16-8(15)12-6-4-11-5-7-13-14-10/h11H,4-7H2,1-3H3,(H,12,15)
InChIKeyYPNMUFMPTZUFRE-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.41
Rot. Bonds6

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

tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate (PubChem CID 152561182) has the molecular formula C9H19N5O2 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate
PubChem CID152561182
Molecular FormulaC9H19N5O2
Molecular Weight229.28 g/mol
Exact Mass229.15
IUPAC Nametert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCCN=[N+]=[N-]
InChIInChI=1S/C9H19N5O2/c1-9(2,3)16-8(15)12-6-4-11-5-7-13-14-10/h11H,4-7H2,1-3H3,(H,12,15)
InChIKeyYPNMUFMPTZUFRE-UHFFFAOYSA-N
XLogP1.41
TPSA99.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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CID 138393789
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CID 14925149
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CID 178200963
2-(2-azidoethylamino)ethylcarbamic acid
CID 174165212
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CID 155318155
tert-butyl (2S)-4-(2-azidoethylamino)-2-(tert-butylamino)butanoate
CID 176583516
tert-butyl N-(3-azido-2-hydroxypropyl)carbamate
CID 58981724
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[(5R)-5-amino-6-(3-azidopropylamino)-6-oxohexyl]carbamate
CID 168911676
tert-butyl N-[(5S)-5-amino-6-(3-azidopropylamino)-6-oxohexyl]carbamate
CID 170607029
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346
tert-butyl N-[2-(3-hydroxybutylamino)ethyl]carbamate
CID 115628927

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate (CID 152561182) is tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate is CC(C)(C)OC(=O)NCCNCCN=[N+]=[N-].
What is the InChIKey of tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate?
The InChIKey is YPNMUFMPTZUFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2/c1-9(2,3)16-8(15)12-6-4-11-5-7-13-14-10/h11H,4-7H2,1-3H3,(H,12,15).
What are the key properties of tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate?
tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate has a molecular weight of 229.28 g/mol, XLogP of 1.41, 6 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-azidoethylamino)ethyl]carbamate is sourced from PubChem (CID 152561182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).