tert-butyl N-[2-[2-(dipropylamino)ethoxy]ethyl]carbamate

C15H32N2O3 — CID 86614916

IUPACtert-butyl N-[2-[2-(dipropylamino)ethoxy]ethyl]carbamate
SMILESCCCN(CCC)CCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O3/c1-6-9-17(10-7-2)11-13-19-12-8-16-14(18)20-15(3,4)5/h6-13H2,1-5H3,(H,16,18)
InChIKeyQUCWPWVFIHIIFG-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.65
Rot. Bonds10

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

tert-butyl N-[2-[2-(dipropylamino)ethoxy]ethyl]carbamate (PubChem CID 86614916) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(dipropylamino)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(dipropylamino)ethoxy]ethyl]carbamate
PubChem CID86614916
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Nametert-butyl N-[2-[2-(dipropylamino)ethoxy]ethyl]carbamate
SMILESCCCN(CCC)CCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H32N2O3/c1-6-9-17(10-7-2)11-13-19-12-8-16-14(18)20-15(3,4)5/h6-13H2,1-5H3,(H,16,18)
InChIKeyQUCWPWVFIHIIFG-UHFFFAOYSA-N
XLogP2.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 tert-butyl N-[2-[2-(dipropylamino)ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(dipropylamino)ethoxy]ethyl]carbamate (CID 86614916) is tert-butyl N-[2-[2-(dipropylamino)ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(dipropylamino)ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(dipropylamino)ethoxy]ethyl]carbamate is CCCN(CCC)CCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-(dipropylamino)ethoxy]ethyl]carbamate?
The InChIKey is QUCWPWVFIHIIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-6-9-17(10-7-2)11-13-19-12-8-16-14(18)20-15(3,4)5/h6-13H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[2-[2-(dipropylamino)ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-(dipropylamino)ethoxy]ethyl]carbamate has a molecular weight of 288.43 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(dipropylamino)ethoxy]ethyl]carbamate is sourced from PubChem (CID 86614916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).