5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol

C12H19FN2O — CID 103895914

IUPAC5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1cccc(F)n1
InChIInChI=1S/C12H19FN2O/c1-12(2,7-4-8-16)9-14-11-6-3-5-10(13)15-11/h3,5-6,16H,4,7-9H2,1-2H3,(H,14,15)
InChIKeyGTYDKTVVALXWIL-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.43
Rot. Bonds6

About 5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol

5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol (PubChem CID 103895914) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
PubChem CID103895914
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNc1cccc(F)n1
InChIInChI=1S/C12H19FN2O/c1-12(2,7-4-8-16)9-14-11-6-3-5-10(13)15-11/h3,5-6,16H,4,7-9H2,1-2H3,(H,14,15)
InChIKeyGTYDKTVVALXWIL-UHFFFAOYSA-N
XLogP2.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(6-fluoro-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 66169557
4,4-dimethyl-5-(pyridin-2-ylamino)pentan-1-ol
CID 103895878
6-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylpyridine-3-carboxylic acid
CID 106148798
6-fluoro-N-(2-methyl-2-methylsulfanylpropyl)pyridin-2-amine
CID 115663512
6-fluoro-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 115658515
3-[2-[(6-fluoro-2-pyridinyl)amino]ethylsulfanyl]propan-1-ol
CID 103702970
5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
CID 106141303
5-[[6-(ethylamino)pyrazin-2-yl]amino]-4,4-dimethylpentan-1-ol
CID 103895908
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 106141224
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897825
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine
CID 61228791
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780

Frequently Asked Questions

What is the IUPAC name of 5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol (CID 103895914) is 5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNc1cccc(F)n1.
What is the InChIKey of 5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol?
The InChIKey is GTYDKTVVALXWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-12(2,7-4-8-16)9-14-11-6-3-5-10(13)15-11/h3,5-6,16H,4,7-9H2,1-2H3,(H,14,15).
What are the key properties of 5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol?
5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-fluoro-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103895914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).