4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol

C12H23NO3 — CID 112554599

IUPAC4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol
SMILESCCOC1CC(NCC2(O)CCOCC2)C1
InChIInChI=1S/C12H23NO3/c1-2-16-11-7-10(8-11)13-9-12(14)3-5-15-6-4-12/h10-11,13-14H,2-9H2,1H3
InChIKeyUBVOCSOVFKPFAY-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.69
Rot. Bonds5

About 4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol

4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol (PubChem CID 112554599) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol
PubChem CID112554599
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol
SMILESCCOC1CC(NCC2(O)CCOCC2)C1
InChIInChI=1S/C12H23NO3/c1-2-16-11-7-10(8-11)13-9-12(14)3-5-15-6-4-12/h10-11,13-14H,2-9H2,1H3
InChIKeyUBVOCSOVFKPFAY-UHFFFAOYSA-N
XLogP0.69
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol
CID 81131372
2-[1-[[(3-ethoxycyclobutyl)amino]methyl]cyclopropyl]ethanol
CID 114750744
4-[[(3,4-dimethylcyclohexyl)amino]methyl]oxan-4-ol
CID 81130499
4-[[(3-ethylcyclohexyl)amino]methyl]oxan-4-ol
CID 79033062
4-[[(1-propylpiperidin-4-yl)amino]methyl]oxan-4-ol
CID 81130595
4-[(1,4-dioxaspiro[4.5]decan-8-ylamino)methyl]oxan-4-ol
CID 81131365
4-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol
CID 81130345
4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol
CID 81130600
3-ethoxy-N-(oxolan-3-ylmethyl)cyclobutan-1-amine
CID 112554557
4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]oxan-4-ol
CID 81130670
4-[[[3-(2-bromophenyl)cyclobutyl]amino]methyl]oxan-4-ol
CID 81131369
4-[[[3-(2-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol
CID 81131280

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol (CID 112554599) is 4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol is CCOC1CC(NCC2(O)CCOCC2)C1.
What is the InChIKey of 4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol?
The InChIKey is UBVOCSOVFKPFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-16-11-7-10(8-11)13-9-12(14)3-5-15-6-4-12/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol?
4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol has a molecular weight of 229.32 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 112554599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).