3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol

C13H19FN2O — CID 113372086

IUPAC3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(NC1CC(O)C1(C)C)c1cncc(F)c1
InChIInChI=1S/C13H19FN2O/c1-8(9-4-10(14)7-15-6-9)16-11-5-12(17)13(11,2)3/h4,6-8,11-12,16-17H,5H2,1-3H3
InChIKeyIOTPVBHLRRAEDM-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.03
Rot. Bonds3

About 3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol

3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 113372086) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID113372086
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCC(NC1CC(O)C1(C)C)c1cncc(F)c1
InChIInChI=1S/C13H19FN2O/c1-8(9-4-10(14)7-15-6-9)16-11-5-12(17)13(11,2)3/h4,6-8,11-12,16-17H,5H2,1-3H3
InChIKeyIOTPVBHLRRAEDM-UHFFFAOYSA-N
XLogP2.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol with MolForge

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Related Compounds

N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103788436
2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol
CID 103948496
2,2-dimethyl-3-[1-(1H-pyrazol-4-yl)ethylamino]cyclobutan-1-ol
CID 103952229
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 103776178
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 103907148
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 103781018
3-[1-(2-fluorophenyl)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 112633776
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylcyclohexan-1-amine
CID 103775342
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-oxothian-4-amine
CID 114080574
2,2-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]cyclobutan-1-ol
CID 115972200
N-[1-(5-fluoro-3-pyridinyl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 103788624
4-[1-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethyl]-2-methoxyphenol
CID 114629015

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol (CID 113372086) is 3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol is CC(NC1CC(O)C1(C)C)c1cncc(F)c1.
What is the InChIKey of 3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is IOTPVBHLRRAEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-8(9-4-10(14)7-15-6-9)16-11-5-12(17)13(11,2)3/h4,6-8,11-12,16-17H,5H2,1-3H3.
What are the key properties of 3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol?
3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 238.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-3-pyridinyl)ethylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 113372086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).