2-[3-(3-azidopropoxy)propoxy]ethanamine

C8H18N4O2 — CID 168833008

IUPAC2-[3-(3-azidopropoxy)propoxy]ethanamine
SMILES[N-]=[N+]=NCCCOCCCOCCN
InChIInChI=1S/C8H18N4O2/c9-3-8-14-7-2-6-13-5-1-4-11-12-10/h1-9H2
InChIKeyFCKVROVZSLWOPF-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.07
Rot. Bonds10

About 2-[3-(3-azidopropoxy)propoxy]ethanamine

2-[3-(3-azidopropoxy)propoxy]ethanamine (PubChem CID 168833008) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[3-(3-azidopropoxy)propoxy]ethanamine.

Molecular Properties

Compound Name2-[3-(3-azidopropoxy)propoxy]ethanamine
PubChem CID168833008
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC Name2-[3-(3-azidopropoxy)propoxy]ethanamine
SMILES[N-]=[N+]=NCCCOCCCOCCN
InChIInChI=1S/C8H18N4O2/c9-3-8-14-7-2-6-13-5-1-4-11-12-10/h1-9H2
InChIKeyFCKVROVZSLWOPF-UHFFFAOYSA-N
XLogP1.07
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
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

1-azido-3-[3-(3-azidopropoxy)propoxy]propane;methane
CID 159454812
4-(4-azidobutoxy)butan-1-amine
CID 151331524
1-azido-3-(2-azidoethoxy)propane
CID 161084189
3-[3-(3-azidopropoxy)propoxy]propylimino-iminoazanium
CID 59378910
1,5-bis(2-azidoethoxy)pentane
CID 130260836
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethanamine;2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N-methylethanamine;2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethanamine
CID 163523184
9-azidononan-1-amine
CID 122424851
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-6-azidohexanamide
CID 171532583
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-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-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
1-azido-7-(7-azido-4-oxoheptoxy)heptan-4-one
CID 157229574

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-azidopropoxy)propoxy]ethanamine?
The IUPAC name of 2-[3-(3-azidopropoxy)propoxy]ethanamine (CID 168833008) is 2-[3-(3-azidopropoxy)propoxy]ethanamine.
What is the SMILES notation for 2-[3-(3-azidopropoxy)propoxy]ethanamine?
The canonical SMILES for 2-[3-(3-azidopropoxy)propoxy]ethanamine is [N-]=[N+]=NCCCOCCCOCCN.
What is the InChIKey of 2-[3-(3-azidopropoxy)propoxy]ethanamine?
The InChIKey is FCKVROVZSLWOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c9-3-8-14-7-2-6-13-5-1-4-11-12-10/h1-9H2.
What are the key properties of 2-[3-(3-azidopropoxy)propoxy]ethanamine?
2-[3-(3-azidopropoxy)propoxy]ethanamine has a molecular weight of 202.26 g/mol, XLogP of 1.07, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-azidopropoxy)propoxy]ethanamine is sourced from PubChem (CID 168833008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).