4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol

C13H25NO3 — CID 113364868

IUPAC4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol
SMILESCCOC1CC(NC2CCC(O)CC2)C1OC
InChIInChI=1S/C13H25NO3/c1-3-17-12-8-11(13(12)16-2)14-9-4-6-10(15)7-5-9/h9-15H,3-8H2,1-2H3
InChIKeyNLWOJHBNWOPHEC-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.07
Rot. Bonds5

About 4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol

4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol (PubChem CID 113364868) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol
PubChem CID113364868
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol
SMILESCCOC1CC(NC2CCC(O)CC2)C1OC
InChIInChI=1S/C13H25NO3/c1-3-17-12-8-11(13(12)16-2)14-9-4-6-10(15)7-5-9/h9-15H,3-8H2,1-2H3
InChIKeyNLWOJHBNWOPHEC-UHFFFAOYSA-N
XLogP1.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol (CID 113364868) is 4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol is CCOC1CC(NC2CCC(O)CC2)C1OC.
What is the InChIKey of 4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol?
The InChIKey is NLWOJHBNWOPHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-17-12-8-11(13(12)16-2)14-9-4-6-10(15)7-5-9/h9-15H,3-8H2,1-2H3.
What are the key properties of 4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol?
4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 113364868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).