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

C10H22N2O3 — CID 87187149

IUPACtert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOCCN
InChIInChI=1S/C10H22N2O3/c1-10(2,3)15-9(13)12-6-4-7-14-8-5-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyLPHXDOGUEPNTJE-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.88
Rot. Bonds6

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

tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate (PubChem CID 87187149) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
PubChem CID87187149
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Nametert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCOCCN
InChIInChI=1S/C10H22N2O3/c1-10(2,3)15-9(13)12-6-4-7-14-8-5-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKeyLPHXDOGUEPNTJE-UHFFFAOYSA-N
XLogP0.88
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
CID 161198588
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
CID 170396360
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxycarbonylamino]ethoxy]ethoxy]ethyl]carbamate
CID 138695989
tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
CID 58725633
tert-butyl N-[4-(2-iodoethoxy)butyl]carbamate
CID 171066422
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 166851289
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[4-(hydroxymethoxy)butyl]carbamate
CID 87889000
tert-butyl N-[4-(3-aminopropanoylamino)butyl]carbamate
CID 175666351

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate (CID 87187149) is tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate is CC(C)(C)OC(=O)NCCCOCCN.
What is the InChIKey of tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate?
The InChIKey is LPHXDOGUEPNTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-10(2,3)15-9(13)12-6-4-7-14-8-5-11/h4-8,11H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate?
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate has a molecular weight of 218.30 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate is sourced from PubChem (CID 87187149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).