3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol

C13H27NO2 — CID 103271627

IUPAC3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCCOCC(NC1CC(O)C1(C)C)C(C)C
InChIInChI=1S/C13H27NO2/c1-6-16-8-10(9(2)3)14-11-7-12(15)13(11,4)5/h9-12,14-15H,6-8H2,1-5H3
InChIKeyJORQRNNFSOBREW-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.80
Rot. Bonds6

About 3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol

3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 103271627) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
PubChem CID103271627
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
SMILESCCOCC(NC1CC(O)C1(C)C)C(C)C
InChIInChI=1S/C13H27NO2/c1-6-16-8-10(9(2)3)14-11-7-12(15)13(11,4)5/h9-12,14-15H,6-8H2,1-5H3
InChIKeyJORQRNNFSOBREW-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(3-Ethoxy-2,2-dimethylcyclobutyl)amino]-2,2-difluoropropan-1-ol
CID 104860487
3-[[2,2-Dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2,2-difluoropropan-1-ol
CID 104860558
1,1,1-Trifluoro-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol
CID 105840662
2,2-Dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclobutan-1-ol
CID 112634046

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol (CID 103271627) is 3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol is CCOCC(NC1CC(O)C1(C)C)C(C)C.
What is the InChIKey of 3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is JORQRNNFSOBREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-16-8-10(9(2)3)14-11-7-12(15)13(11,4)5/h9-12,14-15H,6-8H2,1-5H3.
What are the key properties of 3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol?
3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethoxy-3-methylbutan-2-yl)amino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 103271627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).