1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol

C13H27NO2 — CID 103921424

IUPAC1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol
SMILESCCOC1CC(NCC(O)CC(C)(C)C)C1
InChIInChI=1S/C13H27NO2/c1-5-16-12-6-10(7-12)14-9-11(15)8-13(2,3)4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyADUKKIGPDOCTQW-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds6

About 1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol

1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 103921424) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol
PubChem CID103921424
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol
SMILESCCOC1CC(NCC(O)CC(C)(C)C)C1
InChIInChI=1S/C13H27NO2/c1-5-16-12-6-10(7-12)14-9-11(15)8-13(2,3)4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyADUKKIGPDOCTQW-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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-[2-(2,2-Difluoroethoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103082597
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
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
3-[(3-Ethoxy-2-ethyl-2-methylcyclobutyl)amino]-1,1,1-trifluoropropan-2-ol
CID 105643577
1,1,1-Trifluoro-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol
CID 105840662
4,4-Dimethyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-2-ol
CID 107152188

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol (CID 103921424) is 1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol is CCOC1CC(NCC(O)CC(C)(C)C)C1.
What is the InChIKey of 1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is ADUKKIGPDOCTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-16-12-6-10(7-12)14-9-11(15)8-13(2,3)4/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of 1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol?
1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 103921424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).