3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol

C14H19NO — CID 114601502

IUPAC3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol
SMILESNC1CC(O)(c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C14H19NO/c15-13-8-14(16,9-13)12-6-2-5-11(7-12)10-3-1-4-10/h2,5-7,10,13,16H,1,3-4,8-9,15H2
InChIKeyPEBDFXDPGINWIJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.26
Rot. Bonds2

About 3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol

3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol (PubChem CID 114601502) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol
PubChem CID114601502
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol
SMILESNC1CC(O)(c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C14H19NO/c15-13-8-14(16,9-13)12-6-2-5-11(7-12)10-3-1-4-10/h2,5-7,10,13,16H,1,3-4,8-9,15H2
InChIKeyPEBDFXDPGINWIJ-UHFFFAOYSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol (CID 114601502) is 3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol is NC1CC(O)(c2cccc(C3CCC3)c2)C1.
What is the InChIKey of 3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol?
The InChIKey is PEBDFXDPGINWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-13-8-14(16,9-13)12-6-2-5-11(7-12)10-3-1-4-10/h2,5-7,10,13,16H,1,3-4,8-9,15H2.
What are the key properties of 3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol?
3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-cyclobutylphenyl)cyclobutan-1-ol is sourced from PubChem (CID 114601502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).