tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate

C13H26N2O3 — CID 107237358

IUPACtert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate
SMILESCCOC1CC(NNC(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C13H26N2O3/c1-7-17-10-8-9(13(10,5)6)14-15-11(16)18-12(2,3)4/h9-10,14H,7-8H2,1-6H3,(H,15,16)
InChIKeyDECSPWLOLPFRAB-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.22
Rot. Bonds4

About tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate

tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate (PubChem CID 107237358) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate
PubChem CID107237358
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate
SMILESCCOC1CC(NNC(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C13H26N2O3/c1-7-17-10-8-9(13(10,5)6)14-15-11(16)18-12(2,3)4/h9-10,14H,7-8H2,1-6H3,(H,15,16)
InChIKeyDECSPWLOLPFRAB-UHFFFAOYSA-N
XLogP2.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate
CID 107239129
tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate
CID 81463231
tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropyl]carbamate
CID 107257534
3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 82719565
tert-butyl (4S)-3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methoxypyrrolidine-1-carboxylate
CID 113352246
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid
CID 64853101
2-(2-aminoethoxy)-N-(3-ethoxy-2,2-dimethylcyclobutyl)acetamide
CID 103812070
[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl] methanesulfonate
CID 131123206
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-ethylacetamide
CID 64850730
ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 64688546
tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate
CID 90065651
(2S)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 103797512

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate (CID 107237358) is tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate is CCOC1CC(NNC(=O)OC(C)(C)C)C1(C)C.
What is the InChIKey of tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate?
The InChIKey is DECSPWLOLPFRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-7-17-10-8-9(13(10,5)6)14-15-11(16)18-12(2,3)4/h9-10,14H,7-8H2,1-6H3,(H,15,16).
What are the key properties of tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate?
tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate has a molecular weight of 258.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate is sourced from PubChem (CID 107237358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).