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

C15H32N2O5 — CID 11989604

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

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

tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate (PubChem CID 11989604) has the molecular formula C15H32N2O5 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate
PubChem CID11989604
Molecular FormulaC15H32N2O5
Molecular Weight320.43 g/mol
Exact Mass320.23
IUPAC Nametert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOCCOCCOCCCN
InChIInChI=1S/C15H32N2O5/c1-15(2,3)22-14(18)17-7-5-9-20-11-13-21-12-10-19-8-4-6-16/h4-13,16H2,1-3H3,(H,17,18)
InChIKeyWHHYAYNALHPDGJ-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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Related Compounds

Carbamic acid, butyl-, 1,2-ethanediyl ester
CID 44392415
tert-butyl N-{2-[2-(2-aminoethoxy)ethoxy]ethyl}carbamate
CID 9881394
tert-Butyl (2-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)ethyl)carbamate
CID 10493865
tert-butyl N-{3-[2-(2-hydroxyethoxy)ethoxy]propyl}carbamate
CID 122164031
Carbamic acid, (3-hydroxypropyl)-, isopropyl ester, carbamate
CID 56049
Carbamic acid, (3-hydroxypropyl)-, ethyl ester, propylcarbamate
CID 56219
Boc-NH-PEG4-amine
CID 11688612
tert-butyl N-{3-[2-(3-aminopropoxy)ethoxy]propyl}carbamate
CID 23156917
BocNH-PEG2-CH2CH2NHMe
CID 86230361
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
tert-butyl N-(3-(3-aminopropoxy)propyl)-N-methylcarbamate
CID 146598446
tert-butyl N-{3-[2-(methylamino)ethoxy]propyl}carbamate
CID 165942533

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate (CID 11989604) is tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate is CC(C)(C)OC(=O)NCCCOCCOCCOCCCN.
What is the InChIKey of tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate?
The InChIKey is WHHYAYNALHPDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O5/c1-15(2,3)22-14(18)17-7-5-9-20-11-13-21-12-10-19-8-4-6-16/h4-13,16H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate?
tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate 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 tert-butyl N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]carbamate is sourced from PubChem (CID 11989604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).