2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol

C11H23NO2 — CID 106452629

IUPAC2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol
SMILESCCCOCCNC1CC(O)C1(C)C
InChIInChI=1S/C11H23NO2/c1-4-6-14-7-5-12-9-8-10(13)11(9,2)3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyJYMIXMBCDRNJLZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.16
Rot. Bonds6

About 2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol

2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol (PubChem CID 106452629) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol
PubChem CID106452629
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol
SMILESCCCOCCNC1CC(O)C1(C)C
InChIInChI=1S/C11H23NO2/c1-4-6-14-7-5-12-9-8-10(13)11(9,2)3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyJYMIXMBCDRNJLZ-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclobutanol, 3-morpholino-2,2,4,4-tetramethyl-
CID 203395
(2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 163245457
4,4-Dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 169759866
3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850373
2,2-dimethyl-3-(2-methylpropoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850406
3-[2-(2,2-Difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103082597
N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 103082654
3-ethoxy-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine
CID 103271276
3-[[2,2-Dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-1,1,1-trifluoropropan-2-ol
CID 103921053
3-[(3-Ethoxy-2,2-dimethylcyclobutyl)amino]-1,1-difluoropropan-2-ol
CID 103921693
3-[(3,3-Difluoro-2-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 103952102
3-[(2,2-Difluoro-3-hydroxypropyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 104860466

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol (CID 106452629) is 2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol is CCCOCCNC1CC(O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol?
The InChIKey is JYMIXMBCDRNJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-6-14-7-5-12-9-8-10(13)11(9,2)3/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol?
2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-propoxyethylamino)cyclobutan-1-ol is sourced from PubChem (CID 106452629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).