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

C14H27NO2 — CID 64850719

IUPAC4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol
SMILESCCOC1CC(NC2CCC(O)CC2)C1(C)C
InChIInChI=1S/C14H27NO2/c1-4-17-13-9-12(14(13,2)3)15-10-5-7-11(16)8-6-10/h10-13,15-16H,4-9H2,1-3H3
InChIKeyQTMOPKGRUQMCPW-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.08
Rot. Bonds4

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

4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol (PubChem CID 64850719) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol
PubChem CID64850719
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol
SMILESCCOC1CC(NC2CCC(O)CC2)C1(C)C
InChIInChI=1S/C14H27NO2/c1-4-17-13-9-12(14(13,2)3)15-10-5-7-11(16)8-6-10/h10-13,15-16H,4-9H2,1-3H3
InChIKeyQTMOPKGRUQMCPW-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol (CID 64850719) is 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol is CCOC1CC(NC2CCC(O)CC2)C1(C)C.
What is the InChIKey of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol?
The InChIKey is QTMOPKGRUQMCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-17-13-9-12(14(13,2)3)15-10-5-7-11(16)8-6-10/h10-13,15-16H,4-9H2,1-3H3.
What are the key properties of 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol?
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 64850719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).