3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate

C15H32N2O5 — CID 87416553

IUPAC3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCCOCCOCCOCCCN
InChIInChI=1S/C15H32N2O5/c1-15(2,3)17-14(18)22-9-5-8-20-11-13-21-12-10-19-7-4-6-16/h4-13,16H2,1-3H3,(H,17,18)
InChIKeyXOPGZJLGKLEBDN-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.30
Rot. Bonds13

About 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate

3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate (PubChem CID 87416553) has the molecular formula C15H32N2O5 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate.

Molecular Properties

Compound Name3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate
PubChem CID87416553
Molecular FormulaC15H32N2O5
Molecular Weight320.43 g/mol
Exact Mass320.23
IUPAC Name3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCCOCCOCCOCCCN
InChIInChI=1S/C15H32N2O5/c1-15(2,3)17-14(18)22-9-5-8-20-11-13-21-12-10-19-7-4-6-16/h4-13,16H2,1-3H3,(H,17,18)
InChIKeyXOPGZJLGKLEBDN-UHFFFAOYSA-N
XLogP1.30
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate?
The IUPAC name of 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate (CID 87416553) is 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate.
What is the SMILES notation for 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate?
The canonical SMILES for 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCCOCCOCCOCCCN.
What is the InChIKey of 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate?
The InChIKey is XOPGZJLGKLEBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O5/c1-15(2,3)17-14(18)22-9-5-8-20-11-13-21-12-10-19-7-4-6-16/h4-13,16H2,1-3H3,(H,17,18).
What are the key properties of 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate?
3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate has a molecular weight of 320.43 g/mol, XLogP of 1.30, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl N-tert-butylcarbamate is sourced from PubChem (CID 87416553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).