3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine

C12H25NO2 — CID 82719565

IUPAC3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
SMILESCCOC1CC(NOC(C)(C)C)C1(C)C
InChIInChI=1S/C12H25NO2/c1-7-14-10-8-9(12(10,5)6)13-15-11(2,3)4/h9-10,13H,7-8H2,1-6H3
InChIKeyMFFMZPSPJFHKKH-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.51
Rot. Bonds4

About 3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine (PubChem CID 82719565) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
PubChem CID82719565
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
SMILESCCOC1CC(NOC(C)(C)C)C1(C)C
InChIInChI=1S/C12H25NO2/c1-7-14-10-8-9(12(10,5)6)13-15-11(2,3)4/h9-10,13H,7-8H2,1-6H3
InChIKeyMFFMZPSPJFHKKH-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
tert-butyl N-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]carbamate
CID 107237358
tert-butyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]acetate
CID 81463231
3-ethoxy-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]cyclobutan-1-amine
CID 114158581
1-(dimethylamino)-3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-2-methylpropan-2-ol
CID 103922036
tert-butyl N-[3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclobutyl]carbamate
CID 107239129
3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
CID 113352099
3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 115906411
N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine
CID 115641989
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol
CID 64850719
N-(3-ethoxy-2,2-dimethylcyclobutyl)-4-ethylcyclohexan-1-amine
CID 64851352
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,2-dimethylcyclopentan-1-amine
CID 79860973

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine (CID 82719565) is 3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine is CCOC1CC(NOC(C)(C)C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
The InChIKey is MFFMZPSPJFHKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-7-14-10-8-9(12(10,5)6)13-15-11(2,3)4/h9-10,13H,7-8H2,1-6H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine is sourced from PubChem (CID 82719565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).