3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine

C13H27NO2 — CID 104584738

IUPAC3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCOC(C)C)C1(C)C
InChIInChI=1S/C13H27NO2/c1-6-15-12-9-11(13(12,4)5)14-7-8-16-10(2)3/h10-12,14H,6-9H2,1-5H3
InChIKeyGQCGVDMXSLPFCH-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.20
Rot. Bonds7

About 3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine (PubChem CID 104584738) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
PubChem CID104584738
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCOC(C)C)C1(C)C
InChIInChI=1S/C13H27NO2/c1-6-15-12-9-11(13(12,4)5)14-7-8-16-10(2)3/h10-12,14H,6-9H2,1-5H3
InChIKeyGQCGVDMXSLPFCH-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102977010
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
2,2-dimethyl-3-(2-propan-2-yloxyethylamino)cyclobutan-1-ol
CID 104584797
3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850373
3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
CID 113352099
3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
CID 107303038
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine
CID 64851694
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid
CID 64852310
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 64850556
N-(2-cyclopentyloxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850404
3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine
CID 114119160
3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 115906411

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine (CID 104584738) is 3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine is CCOC1CC(NCCOC(C)C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine?
The InChIKey is GQCGVDMXSLPFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-15-12-9-11(13(12,4)5)14-7-8-16-10(2)3/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.20, 7 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-propan-2-yloxyethyl)cyclobutan-1-amine is sourced from PubChem (CID 104584738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).