2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate

C9H19N5O5 — CID 118283829

IUPAC2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate
SMILES[N-]=[N+]=NCCOCCOCCOCCOC(=O)NN
InChIInChI=1S/C9H19N5O5/c10-13-9(15)19-8-7-18-6-5-17-4-3-16-2-1-12-14-11/h1-8,10H2,(H,13,15)
InChIKeyPMYOWQVCRKOTPN-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.05
Rot. Bonds12

About 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate

2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate (PubChem CID 118283829) has the molecular formula C9H19N5O5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate.

Molecular Properties

Compound Name2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate
PubChem CID118283829
Molecular FormulaC9H19N5O5
Molecular Weight277.28 g/mol
Exact Mass277.14
IUPAC Name2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate
SMILES[N-]=[N+]=NCCOCCOCCOCCOC(=O)NN
InChIInChI=1S/C9H19N5O5/c10-13-9(15)19-8-7-18-6-5-17-4-3-16-2-1-12-14-11/h1-8,10H2,(H,13,15)
InChIKeyPMYOWQVCRKOTPN-UHFFFAOYSA-N
XLogP-0.05
TPSA140.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', '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'}

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Related Compounds

2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl acetate
CID 163629777
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
azidomethyl N-aminocarbamate
CID 118181996
3-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 77078450
3-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59103378
methyl 2-[2-(2-azidoethoxy)ethoxy]acetate
CID 16723228
tert-butyl N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]carbamate
CID 134827749
tert-butyl N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]carbamate
CID 91809469
4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]butan-2-one
CID 170113917
N-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-bromoacetamide
CID 77078486

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate?
The IUPAC name of 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate (CID 118283829) is 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate.
What is the SMILES notation for 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate?
The canonical SMILES for 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate is [N-]=[N+]=NCCOCCOCCOCCOC(=O)NN.
What is the InChIKey of 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate?
The InChIKey is PMYOWQVCRKOTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O5/c10-13-9(15)19-8-7-18-6-5-17-4-3-16-2-1-12-14-11/h1-8,10H2,(H,13,15).
What are the key properties of 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate?
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate has a molecular weight of 277.28 g/mol, XLogP of -0.05, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl N-aminocarbamate is sourced from PubChem (CID 118283829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).