tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate

C14H28N2O3 — CID 104759310

IUPACtert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate
SMILESCC(C)OCCNC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O3/c1-10(2)18-7-6-15-11-8-12(9-11)16-13(17)19-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyCHZYXEGTYGSTEY-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.06
Rot. Bonds6

About tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate

tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate (PubChem CID 104759310) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate
PubChem CID104759310
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate
SMILESCC(C)OCCNC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O3/c1-10(2)18-7-6-15-11-8-12(9-11)16-13(17)19-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17)
InChIKeyCHZYXEGTYGSTEY-UHFFFAOYSA-N
XLogP2.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.06
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-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate
CID 103759643
tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate
CID 80560818
tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
CID 103759634
tert-butyl N-[3-[2-(3-hydroxypropylsulfanyl)ethylamino]cyclobutyl]carbamate
CID 106309457
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
CID 79461574
tert-butyl N-[3-(2-imidazol-1-ylethylamino)cyclobutyl]carbamate
CID 80560625
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 83178088
tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
CID 80560825
tert-butyl N-[3-[2-(1,3-thiazol-4-yl)ethylamino]cyclobutyl]carbamate
CID 80562083
tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate
CID 103949069
trimethyl-[2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]-2-oxoethyl]azanium iodide
CID 162384823

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate (CID 104759310) is tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate is CC(C)OCCNC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate?
The InChIKey is CHZYXEGTYGSTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(2)18-7-6-15-11-8-12(9-11)16-13(17)19-14(3,4)5/h10-12,15H,6-9H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.06, 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-propan-2-yloxyethylamino)cyclobutyl]carbamate is sourced from PubChem (CID 104759310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).